1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine

C216H378F4N14O32 — CID 157325624

IUPAC1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C(=O)COCCOCCCN(C)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)NCC(C)Oc1ccc(F)c(CCC(=O)C(C)C)c1.CC(C)NCCC(C)Oc1ccc(C(=O)C(C)C)nc1.CC(C)NCCOC/C=C\COCC(=O)C(C)C.CC(C)NCCOCCCOCC(=O)C(C)C.CC(C)NCCOCCCO[C@@H](C)C(=O)C(C)C.CC(C)NCCOCCCO[C@H](C)C(=O)C(C)C.CC(C)NCCOc1cc(F)cc(CCC(=O)C(C)C)c1.CC(C)NC[C@@H](C)Oc1cc(/C=C/C(=O)C(C)C)ccc1F.CC(C)NC[C@@H](C)Oc1cccc(/C=C/C(=O)C(C)C)c1.CC(C)NC[C@H](C)Oc1cc(/C=C/C(=O)C(C)C)ccc1F.CC(C)NC[C@H](C)Oc1cccc(/C=C/C(=O)C(C)C)c1
InChIInChI=1S/C18H28FNO2.2C18H26FNO2.2C18H27NO2.C17H26FNO2.C16H26N2O2.C16H32O3.3C14H29NO3.C14H27NO3.C13H27NO3.C8H19N/c1-12(2)18(21)9-6-15-10-16(7-8-17(15)19)22-14(5)11-20-13(3)4;2*1-12(2)17(21)9-7-15-6-8-16(19)18(10-15)22-14(5)11-20-13(3)4;2*1-13(2)18(20)10-9-16-7-6-8-17(11-16)21-15(5)12-19-14(3)4;1-12(2)17(20)6-5-14-9-15(18)11-16(10-14)21-8-7-19-13(3)4;1-11(2)16(19)15-7-6-14(10-18-15)20-13(5)8-9-17-12(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;2*1-11(2)14(16)13(5)18-9-6-8-17-10-7-15-12(3)4;1-12(2)14(16)11-18-10-9-17-8-6-7-15(5)13(3)4;1-12(2)14(16)11-18-9-6-5-8-17-10-7-15-13(3)4;1-11(2)13(15)10-17-8-5-7-16-9-6-14-12(3)4;1-7(2)5-6-9-8(3)4/h7-8,10,12-14,20H,6,9,11H2,1-5H3;2*6-10,12-14,20H,11H2,1-5H3;2*6-11,13-15,19H,12H2,1-5H3;9-13,19H,5-8H2,1-4H3;6-7,10-13,17H,8-9H2,1-5H3;14-15H,5-13H2,1-4H3;2*11-13,15H,6-10H2,1-5H3;12-13H,6-11H2,1-5H3;5-6,12-13,15H,7-11H2,1-4H3;11-12,14H,5-10H2,1-4H3;7-9H,5-6H2,1-4H3/b;2*9-7+;2*10-9+;;;;;;;6-5-;;/t;2*14-;2*15-;;;;2*13-;;;;/m.1010...10..../s1
InChIKeyBERJFFGDEREGGN-PCWRYQMASA-N
MW3759.46 g/mol
LogP40.55
Rot. Bonds130

About 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine

1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 157325624) has the molecular formula C216H378F4N14O32 and a molecular weight of 3759.46 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID157325624
Molecular FormulaC216H378F4N14O32
Molecular Weight3759.46 g/mol
Exact Mass3756.83
IUPAC Name1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C(=O)COCCOCCCN(C)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)NCC(C)Oc1ccc(F)c(CCC(=O)C(C)C)c1.CC(C)NCCC(C)Oc1ccc(C(=O)C(C)C)nc1.CC(C)NCCOC/C=C\COCC(=O)C(C)C.CC(C)NCCOCCCOCC(=O)C(C)C.CC(C)NCCOCCCO[C@@H](C)C(=O)C(C)C.CC(C)NCCOCCCO[C@H](C)C(=O)C(C)C.CC(C)NCCOc1cc(F)cc(CCC(=O)C(C)C)c1.CC(C)NC[C@@H](C)Oc1cc(/C=C/C(=O)C(C)C)ccc1F.CC(C)NC[C@@H](C)Oc1cccc(/C=C/C(=O)C(C)C)c1.CC(C)NC[C@H](C)Oc1cc(/C=C/C(=O)C(C)C)ccc1F.CC(C)NC[C@H](C)Oc1cccc(/C=C/C(=O)C(C)C)c1
InChIInChI=1S/C18H28FNO2.2C18H26FNO2.2C18H27NO2.C17H26FNO2.C16H26N2O2.C16H32O3.3C14H29NO3.C14H27NO3.C13H27NO3.C8H19N/c1-12(2)18(21)9-6-15-10-16(7-8-17(15)19)22-14(5)11-20-13(3)4;2*1-12(2)17(21)9-7-15-6-8-16(19)18(10-15)22-14(5)11-20-13(3)4;2*1-13(2)18(20)10-9-16-7-6-8-17(11-16)21-15(5)12-19-14(3)4;1-12(2)17(20)6-5-14-9-15(18)11-16(10-14)21-8-7-19-13(3)4;1-11(2)16(19)15-7-6-14(10-18-15)20-13(5)8-9-17-12(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;2*1-11(2)14(16)13(5)18-9-6-8-17-10-7-15-12(3)4;1-12(2)14(16)11-18-10-9-17-8-6-7-15(5)13(3)4;1-12(2)14(16)11-18-9-6-5-8-17-10-7-15-13(3)4;1-11(2)13(15)10-17-8-5-7-16-9-6-14-12(3)4;1-7(2)5-6-9-8(3)4/h7-8,10,12-14,20H,6,9,11H2,1-5H3;2*6-10,12-14,20H,11H2,1-5H3;2*6-11,13-15,19H,12H2,1-5H3;9-13,19H,5-8H2,1-4H3;6-7,10-13,17H,8-9H2,1-5H3;14-15H,5-13H2,1-4H3;2*11-13,15H,6-10H2,1-5H3;12-13H,6-11H2,1-5H3;5-6,12-13,15H,7-11H2,1-4H3;11-12,14H,5-10H2,1-4H3;7-9H,5-6H2,1-4H3/b;2*9-7+;2*10-9+;;;;;;;6-5-;;/t;2*14-;2*15-;;;;2*13-;;;;/m.1010...10..../s1
InChIKeyBERJFFGDEREGGN-PCWRYQMASA-N
XLogP40.55
TPSA557.77 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds130
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003759.46
LogP ≤ 540.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine
CID 167553689
1-[3-[2-[2-fluoro-5-(propan-2-ylamino)phenoxy]ethoxy]propoxy]-3-methylbutan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]phenoxy]butan-2-one;(E)-4-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pent-1-en-3-one;3-methyl-1-[[6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]oxy]butan-2-one;4-methyl-1-[6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]pentan-3-one;3-methyl-1-[4-[3-(propan-2-ylamino)phenoxy]butoxy]butan-2-one;3-methyl-1-[5-[3-(propan-2-ylamino)phenoxy]pentoxy]butan-2-one;3-methyl-1-[[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-3-pyridinyl]oxy]butan-2-one;3-methyl-1-[[6-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-3-pyridinyl]oxy]butan-2-one;2-methyl-1-[4-[3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 165097821
1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;1-[3-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;(E)-1-[2-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[2-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;methane;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[3-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 158676667
4-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pentan-3-one
CID 126654778
1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one
CID 126671921
4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one
CID 135172487
2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
CID 165106432
3-methyl-1-[3-[2-[3-(propan-2-ylamino)phenoxy]ethoxy]propoxy]butan-2-one
CID 126654789
1-[5-[3-(propan-2-ylamino)propoxy]-2-pyridinyl]-2-sulfanylpropan-1-one
CID 146526537
2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine
CID 163651891
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
8-(2-fluoro-5-propoxyphenyl)-2-methyloctan-3-one
CID 157048856

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine (CID 157325624) is 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine is CC(C)C(=O)COCCOCCCN(C)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)NCC(C)Oc1ccc(F)c(CCC(=O)C(C)C)c1.CC(C)NCCC(C)Oc1ccc(C(=O)C(C)C)nc1.CC(C)NCCOC/C=C\COCC(=O)C(C)C.CC(C)NCCOCCCOCC(=O)C(C)C.CC(C)NCCOCCCO[C@@H](C)C(=O)C(C)C.CC(C)NCCOCCCO[C@H](C)C(=O)C(C)C.CC(C)NCCOc1cc(F)cc(CCC(=O)C(C)C)c1.CC(C)NC[C@@H](C)Oc1cc(/C=C/C(=O)C(C)C)ccc1F.CC(C)NC[C@@H](C)Oc1cccc(/C=C/C(=O)C(C)C)c1.CC(C)NC[C@H](C)Oc1cc(/C=C/C(=O)C(C)C)ccc1F.CC(C)NC[C@H](C)Oc1cccc(/C=C/C(=O)C(C)C)c1.
What is the InChIKey of 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is BERJFFGDEREGGN-PCWRYQMASA-N. The full InChI is InChI=1S/C18H28FNO2.2C18H26FNO2.2C18H27NO2.C17H26FNO2.C16H26N2O2.C16H32O3.3C14H29NO3.C14H27NO3.C13H27NO3.C8H19N/c1-12(2)18(21)9-6-15-10-16(7-8-17(15)19)22-14(5)11-20-13(3)4;2*1-12(2)17(21)9-7-15-6-8-16(19)18(10-15)22-14(5)11-20-13(3)4;2*1-13(2)18(20)10-9-16-7-6-8-17(11-16)21-15(5)12-19-14(3)4;1-12(2)17(20)6-5-14-9-15(18)11-16(10-14)21-8-7-19-13(3)4;1-11(2)16(19)15-7-6-14(10-18-15)20-13(5)8-9-17-12(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;2*1-11(2)14(16)13(5)18-9-6-8-17-10-7-15-12(3)4;1-12(2)14(16)11-18-10-9-17-8-6-7-15(5)13(3)4;1-12(2)14(16)11-18-9-6-5-8-17-10-7-15-13(3)4;1-11(2)13(15)10-17-8-5-7-16-9-6-14-12(3)4;1-7(2)5-6-9-8(3)4/h7-8,10,12-14,20H,6,9,11H2,1-5H3;2*6-10,12-14,20H,11H2,1-5H3;2*6-11,13-15,19H,12H2,1-5H3;9-13,19H,5-8H2,1-4H3;6-7,10-13,17H,8-9H2,1-5H3;14-15H,5-13H2,1-4H3;2*11-13,15H,6-10H2,1-5H3;12-13H,6-11H2,1-5H3;5-6,12-13,15H,7-11H2,1-4H3;11-12,14H,5-10H2,1-4H3;7-9H,5-6H2,1-4H3/b;2*9-7+;2*10-9+;;;;;;;6-5-;;/t;2*14-;2*15-;;;;2*13-;;;;/m.1010...10..../s1.
What are the key properties of 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine?
1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 3759.46 g/mol, XLogP of 40.55, 130 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-(propan-2-ylamino)ethoxy]phenyl]-4-methylpentan-3-one;1-[2-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpentan-3-one;(E)-1-[4-fluoro-3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[4-fluoro-3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[2-[3-[methyl(propan-2-yl)amino]propoxy]ethoxy]butan-2-one;2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]propan-1-one;3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one;3-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]propoxy]butan-2-one;(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(4S)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one;(E)-4-methyl-1-[3-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;(E)-4-methyl-1-[3-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pent-1-en-3-one;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 157325624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).