(2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine

C148H212BrCl6F7N10O6 — CID 158136734

About (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine

(2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine (PubChem CID 158136734) has the molecular formula C148H212BrCl6F7N10O6 and a molecular weight of 2653.00 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine.

Molecular Properties

• Compound Name: (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine
• PubChem CID: 158136734
• Molecular Formula: C148H212BrCl6F7N10O6
• Molecular Weight: 2653.00 g/mol
• Exact Mass: 2647.38
• IUPAC Name: (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine
• SMILES: C=C(C(C)C)[C@@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN(C)CC1CC1)c1ccc(Br)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(OC(F)(F)F)cc1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(Cl)c(Cl)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(C(F)(F)F)c(F)c2)CC1
• InChI: InChI=1S/2C19H29ClN2.2C19H28ClNO.C19H25F4NO.C19H26F3NO2.C18H26BrN.C16H21Cl2NO/c2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-22-10-14(3)21-15(4)11-22;2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-21-10-14(3)22-15(4)11-21;1-12(2)18(25)15(11-24-8-6-13(3)7-9-24)14-4-5-16(17(20)10-14)19(21,22)23;1-13(2)14(3)18(12-23-16-8-10-24-11-9-16)15-4-6-17(7-5-15)25-19(20,21)22;1-13(2)14(3)18(12-20(4)11-15-5-6-15)16-7-9-17(19)10-8-16;1-10(2)16(20)13(9-19-8-11-3-4-11)12-5-6-14(17)15(18)7-12/h2*6-9,13-15,19,21H,5,10-12H2,1-4H3;2*6-9,13-15,19H,5,10-12H2,1-4H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-7,13,16,18,23H,3,8-12H2,1-2H3;7-10,13,15,18H,3,5-6,11-12H2,1-2,4H3;5-7,10-11,13,19H,3-4,8-9H2,1-2H3/t4*14-,15+,19-;15-;2*18-;13-/m10101001/s1
• InChIKey: FTKYGYDGNUAGQA-DYCFBGPUSA-N
• XLogP: 37.05
• TPSA: 138.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 46
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2653.00
LogP ≤ 5	37.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

The IUPAC name of (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine (CID 158136734) is (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine.

What is the SMILES notation for (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

The canonical SMILES for (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine is C=C(C(C)C)[C@@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN(C)CC1CC1)c1ccc(Br)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(OC(F)(F)F)cc1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(Cl)c(Cl)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(C(F)(F)F)c(F)c2)CC1.

What is the InChIKey of (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

The InChIKey is FTKYGYDGNUAGQA-DYCFBGPUSA-N. The full InChI is InChI=1S/2C19H29ClN2.2C19H28ClNO.C19H25F4NO.C19H26F3NO2.C18H26BrN.C16H21Cl2NO/c2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-22-10-14(3)21-15(4)11-22;2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-21-10-14(3)22-15(4)11-21;1-12(2)18(25)15(11-24-8-6-13(3)7-9-24)14-4-5-16(17(20)10-14)19(21,22)23;1-13(2)14(3)18(12-23-16-8-10-24-11-9-16)15-4-6-17(7-5-15)25-19(20,21)22;1-13(2)14(3)18(12-20(4)11-15-5-6-15)16-7-9-17(19)10-8-16;1-10(2)16(20)13(9-19-8-11-3-4-11)12-5-6-14(17)15(18)7-12/h2*6-9,13-15,19,21H,5,10-12H2,1-4H3;2*6-9,13-15,19H,5,10-12H2,1-4H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-7,13,16,18,23H,3,8-12H2,1-2H3;7-10,13,15,18H,3,5-6,11-12H2,1-2,4H3;5-7,10-11,13,19H,3-4,8-9H2,1-2H3/t4*14-,15+,19-;15-;2*18-;13-/m10101001/s1.

What are the key properties of (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

(2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine has a molecular weight of 2653.00 g/mol, XLogP of 37.05, 46 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine is sourced from PubChem (CID 158136734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).