1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

C140H205F14N11O4 — CID 160819183

IUPAC1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C19H30N2.C18H26F4N2.C18H27F3N2.C18H28N2O.C17H25F3N2.C16H22F3NO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)14-8-13(9-15(10-14)18(19,20)21)11-23-7-6-16(12-23)22(4)5;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;8-10,16H,6-7,11-12H2,1-5H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,9,12,21H,7-8,10-11H2,1-4H3;6-8,14,21H,4-5,9-10H2,1-3H3;6-9H,1-5H3/t;;;16-;;;14-;/m...1..1./s1
InChIKeySFHPXVFJZQRKIU-AXFNYONMSA-N
MW2372.22 g/mol
LogP32.31
Rot. Bonds24

About 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 160819183) has the molecular formula C140H205F14N11O4 and a molecular weight of 2372.22 g/mol. Its IUPAC name is 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID160819183
Molecular FormulaC140H205F14N11O4
Molecular Weight2372.22 g/mol
Exact Mass2370.60
IUPAC Name1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C19H30N2.C18H26F4N2.C18H27F3N2.C18H28N2O.C17H25F3N2.C16H22F3NO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)14-8-13(9-15(10-14)18(19,20)21)11-23-7-6-16(12-23)22(4)5;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;8-10,16H,6-7,11-12H2,1-5H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,9,12,21H,7-8,10-11H2,1-4H3;6-8,14,21H,4-5,9-10H2,1-3H3;6-9H,1-5H3/t;;;16-;;;14-;/m...1..1./s1
InChIKeySFHPXVFJZQRKIU-AXFNYONMSA-N
XLogP32.31
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.22
LogP ≤ 532.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoic acid
CID 68690348
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-3-propan-2-ylbenzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;3-methyl-5-(trifluoromethyl)pyridine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 161382636
3-tert-butylbenzamide;1-[(4-tert-butyl-2-chlorophenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-chlorophenyl)methyl]pyrrolidine;4-(4-tert-butyl-2,6-difluorophenyl)piperidine;5-(5-tert-butyl-2-methylphenyl)-1H-imidazole;3-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-(3-tert-butylphenyl)piperazin-2-one;1-(4-tert-butylphenyl)piperazin-2-one;4-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 158176988
N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-3-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]benzamide;pentakis(2,2,2-trifluoroacetic acid)
CID 11700949
2,4-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 146013682
11-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-16-carboxamide
CID 110067543
N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930799
1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 158356893
N-[2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 111260723

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (CID 160819183) is 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is CC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1.
What is the InChIKey of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is SFHPXVFJZQRKIU-AXFNYONMSA-N. The full InChI is InChI=1S/C21H28O.C19H30N2.C18H26F4N2.C18H27F3N2.C18H28N2O.C17H25F3N2.C16H22F3NO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)14-8-13(9-15(10-14)18(19,20)21)11-23-7-6-16(12-23)22(4)5;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;8-10,16H,6-7,11-12H2,1-5H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,9,12,21H,7-8,10-11H2,1-4H3;6-8,14,21H,4-5,9-10H2,1-3H3;6-9H,1-5H3/t;;;16-;;;14-;/m...1..1./s1.
What are the key properties of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 2372.22 g/mol, XLogP of 32.31, 24 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 160819183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).