4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

C173H260F5N11O9S — CID 158742715

IUPAC4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)(C)c1cc(F)cc(NC2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCNCC2)c1.CC(C)(C)c1cccc(CC2CCOCC2)c1F.CC(C)(C)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1nccc(CC2CCOCC2)n1.CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.COc1ccc(CC2CCOCC2)cc1C(C)(C)C.Cc1ccc(CC2CCOC2)cc1C(C)(C)C.Cc1ccc(CC2COC2)cc1C(C)(C)C.Cc1ccc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C17H25F3N2.C17H28N2.C17H26O2.C16H23FO.C16H26N2O2S.C16H25N.C16H24O.C15H22FNO.C15H22O.C14H22N2O.C14H17N/c1-16(2,3)15-6-4-5-14(11-15)12-21-7-9-22(10-8-21)13-17(18,19)20;1-5-18-9-11-19(12-10-18)14-15-7-6-8-16(13-15)17(2,3)4;1-17(2,3)15-12-14(5-6-16(15)18-4)11-13-7-9-19-10-8-13;1-16(2,3)14-6-4-5-13(15(14)17)11-12-7-9-18-10-8-12;1-16(2,3)15-7-5-6-14(12-15)13-17-8-10-18(11-9-17)21(4,19)20;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-12-5-6-13(9-14-7-8-17-11-14)10-15(12)16(2,3)4;1-15(2,3)11-8-12(16)10-14(9-11)17-13-4-6-18-7-5-13;1-11-5-6-12(7-13-9-16-10-13)8-14(11)15(2,3)4;1-14(2,3)13-15-7-4-12(16-13)10-11-5-8-17-9-6-11;1-10-5-6-11-9-12(14(2,3)4)7-8-13(11)15-10/h4-6,11H,7-10,12-13H2,1-3H3;6-8,13H,5,9-12,14H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;4-6,12H,7-11H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;4-6,12-13,17H,7-11H2,1-3H3;5-6,10,14H,7-9,11H2,1-4H3;8-10,13,17H,4-7H2,1-3H3;5-6,8,13H,7,9-10H2,1-4H3;4,7,11H,5-6,8-10H2,1-3H3;5-9H,1-4H3
InChIKeyIMMPCDJMEPNRHP-UHFFFAOYSA-N
MW2765.11 g/mol
LogP38.08
Rot. Bonds24

About 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 158742715) has the molecular formula C173H260F5N11O9S and a molecular weight of 2765.11 g/mol. Its IUPAC name is 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID158742715
Molecular FormulaC173H260F5N11O9S
Molecular Weight2765.11 g/mol
Exact Mass2762.99
IUPAC Name4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)(C)c1cc(F)cc(NC2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCNCC2)c1.CC(C)(C)c1cccc(CC2CCOCC2)c1F.CC(C)(C)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1nccc(CC2CCOCC2)n1.CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.COc1ccc(CC2CCOCC2)cc1C(C)(C)C.Cc1ccc(CC2CCOC2)cc1C(C)(C)C.Cc1ccc(CC2COC2)cc1C(C)(C)C.Cc1ccc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C17H25F3N2.C17H28N2.C17H26O2.C16H23FO.C16H26N2O2S.C16H25N.C16H24O.C15H22FNO.C15H22O.C14H22N2O.C14H17N/c1-16(2,3)15-6-4-5-14(11-15)12-21-7-9-22(10-8-21)13-17(18,19)20;1-5-18-9-11-19(12-10-18)14-15-7-6-8-16(13-15)17(2,3)4;1-17(2,3)15-12-14(5-6-16(15)18-4)11-13-7-9-19-10-8-13;1-16(2,3)14-6-4-5-13(15(14)17)11-12-7-9-18-10-8-12;1-16(2,3)15-7-5-6-14(12-15)13-17-8-10-18(11-9-17)21(4,19)20;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-12-5-6-13(9-14-7-8-17-11-14)10-15(12)16(2,3)4;1-15(2,3)11-8-12(16)10-14(9-11)17-13-4-6-18-7-5-13;1-11-5-6-12(7-13-9-16-10-13)8-14(11)15(2,3)4;1-14(2,3)13-15-7-4-12(16-13)10-11-5-8-17-9-6-11;1-10-5-6-11-9-12(14(2,3)4)7-8-13(11)15-10/h4-6,11H,7-10,12-13H2,1-3H3;6-8,13H,5,9-12,14H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;4-6,12H,7-11H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;4-6,12-13,17H,7-11H2,1-3H3;5-6,10,14H,7-9,11H2,1-4H3;8-10,13,17H,4-7H2,1-3H3;5-6,8,13H,7,9-10H2,1-4H3;4,7,11H,5-6,8-10H2,1-3H3;5-9H,1-4H3
InChIKeyIMMPCDJMEPNRHP-UHFFFAOYSA-N
XLogP38.08
TPSA180.92 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002765.11
LogP ≤ 538.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-N-(3-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-5-(1-(4-(methylsulfonyl)piperazin-1-yl)ethyl)pyridin-2-yl)-5-fluoroquinolin-7-amine
CID 66611412
N-[3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-pyridinyl]-5-fluoroquinolin-7-amine
CID 66611413
N-[2-fluoro-6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide;hydrochloride
CID 135326941
N-[2-fluoro-6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 135326942
N-[5-[[3-[2-[[(3S,5S)-5-fluoro-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide
CID 135327165
N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide;hydrochloride
CID 135327848
2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
CID 157174034
CID 157484350
CID 157484350
4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;6-tert-butyl-2-methylquinoline;2-tert-butyl-6-(oxan-4-ylmethyl)pyrazine;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 157807928
6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 158107403
4-[2-[4-(benzylsulfonylmethyl)-3-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[4-(3,3-difluorobutylsulfonylmethyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;3,3-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3,3-difluoro-N-[6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(2-fluorophenyl)methanesulfonamide;N-[6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 158405753
3,8-Bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
CID 158795075

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 158742715) is 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is CC(C)(C)c1cc(F)cc(NC2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCNCC2)c1.CC(C)(C)c1cccc(CC2CCOCC2)c1F.CC(C)(C)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1nccc(CC2CCOCC2)n1.CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.COc1ccc(CC2CCOCC2)cc1C(C)(C)C.Cc1ccc(CC2CCOC2)cc1C(C)(C)C.Cc1ccc(CC2COC2)cc1C(C)(C)C.Cc1ccc2cc(C(C)(C)C)ccc2n1.
What is the InChIKey of 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is IMMPCDJMEPNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C17H28N2.C17H26O2.C16H23FO.C16H26N2O2S.C16H25N.C16H24O.C15H22FNO.C15H22O.C14H22N2O.C14H17N/c1-16(2,3)15-6-4-5-14(11-15)12-21-7-9-22(10-8-21)13-17(18,19)20;1-5-18-9-11-19(12-10-18)14-15-7-6-8-16(13-15)17(2,3)4;1-17(2,3)15-12-14(5-6-16(15)18-4)11-13-7-9-19-10-8-13;1-16(2,3)14-6-4-5-13(15(14)17)11-12-7-9-18-10-8-12;1-16(2,3)15-7-5-6-14(12-15)13-17-8-10-18(11-9-17)21(4,19)20;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-12-5-6-13(9-14-7-8-17-11-14)10-15(12)16(2,3)4;1-15(2,3)11-8-12(16)10-14(9-11)17-13-4-6-18-7-5-13;1-11-5-6-12(7-13-9-16-10-13)8-14(11)15(2,3)4;1-14(2,3)13-15-7-4-12(16-13)10-11-5-8-17-9-6-11;1-10-5-6-11-9-12(14(2,3)4)7-8-13(11)15-10/h4-6,11H,7-10,12-13H2,1-3H3;6-8,13H,5,9-12,14H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;4-6,12H,7-11H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;4-6,12-13,17H,7-11H2,1-3H3;5-6,10,14H,7-9,11H2,1-4H3;8-10,13,17H,4-7H2,1-3H3;5-6,8,13H,7,9-10H2,1-4H3;4,7,11H,5-6,8-10H2,1-3H3;5-9H,1-4H3.
What are the key properties of 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 2765.11 g/mol, XLogP of 38.08, 24 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 158742715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).