2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine

C165H192Cl3F15N20O6 — CID 161268754

IUPAC2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)(C)CCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4cc(C)cc(OC)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc(C)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2N)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C35H42ClF3N4O.C34H41F3N4O2.C33H39F3N4O.C32H36ClF3N4O.C31H34ClF3N4O/c1-34(2,3)13-6-14-43-24-31(29-11-10-28(20-27(29)21-40)44-35(37,38)39)30-19-25(9-12-33(30)43)22-41-15-17-42(18-16-41)23-26-7-4-5-8-32(26)36;1-4-5-10-41-23-32(30-8-7-28(19-27(30)20-38)43-34(35,36)37)31-18-25(6-9-33(31)41)21-39-11-13-40(14-12-39)22-26-15-24(2)16-29(17-26)42-3;1-3-4-13-40-23-31(29-11-10-28(19-27(29)20-37)41-33(34,35)36)30-18-26(9-12-32(30)40)22-39-16-14-38(15-17-39)21-25-7-5-24(2)6-8-25;1-2-3-12-40-22-29(27-10-9-26(18-25(27)19-37)41-32(34,35)36)28-17-23(8-11-31(28)40)20-38-13-15-39(16-14-38)21-24-6-4-5-7-30(24)33;1-2-3-12-39-21-27(25-10-9-24(18-29(25)36)40-31(33,34)35)26-17-22(8-11-30(26)39)19-37-13-15-38(16-14-37)20-23-6-4-5-7-28(23)32/h4-5,7-12,19-20,24H,6,13-18,21-23,40H2,1-3H3;6-9,15-19,23H,4-5,10-14,20-22,38H2,1-3H3;5-12,18-19,23H,3-4,13-17,20-22,37H2,1-2H3;4-11,17-18,22H,2-3,12-16,19-21,37H2,1H3;4-11,17-18,21H,2-3,12-16,19-20,36H2,1H3
InChIKeyVDNNDHOSKDGMKV-UHFFFAOYSA-N
MW2942.81 g/mol
LogP37.65
Rot. Bonds50

About 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine

2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine (PubChem CID 161268754) has the molecular formula C165H192Cl3F15N20O6 and a molecular weight of 2942.81 g/mol. Its IUPAC name is 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
PubChem CID161268754
Molecular FormulaC165H192Cl3F15N20O6
Molecular Weight2942.81 g/mol
Exact Mass2939.42
IUPAC Name2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)(C)CCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4cc(C)cc(OC)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc(C)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2N)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C35H42ClF3N4O.C34H41F3N4O2.C33H39F3N4O.C32H36ClF3N4O.C31H34ClF3N4O/c1-34(2,3)13-6-14-43-24-31(29-11-10-28(20-27(29)21-40)44-35(37,38)39)30-19-25(9-12-33(30)43)22-41-15-17-42(18-16-41)23-26-7-4-5-8-32(26)36;1-4-5-10-41-23-32(30-8-7-28(19-27(30)20-38)43-34(35,36)37)31-18-25(6-9-33(31)41)21-39-11-13-40(14-12-39)22-26-15-24(2)16-29(17-26)42-3;1-3-4-13-40-23-31(29-11-10-28(19-27(29)20-37)41-33(34,35)36)30-18-26(9-12-32(30)40)22-39-16-14-38(15-17-39)21-25-7-5-24(2)6-8-25;1-2-3-12-40-22-29(27-10-9-26(18-25(27)19-37)41-32(34,35)36)28-17-23(8-11-31(28)40)20-38-13-15-39(16-14-38)21-24-6-4-5-7-30(24)33;1-2-3-12-39-21-27(25-10-9-24(18-29(25)36)40-31(33,34)35)26-17-22(8-11-30(26)39)19-37-13-15-38(16-14-37)20-23-6-4-5-7-28(23)32/h4-5,7-12,19-20,24H,6,13-18,21-23,40H2,1-3H3;6-9,15-19,23H,4-5,10-14,20-22,38H2,1-3H3;5-12,18-19,23H,3-4,13-17,20-22,37H2,1-2H3;4-11,17-18,22H,2-3,12-16,19-21,37H2,1H3;4-11,17-18,21H,2-3,12-16,19-20,36H2,1H3
InChIKeyVDNNDHOSKDGMKV-UHFFFAOYSA-N
XLogP37.65
TPSA242.53 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002942.81
LogP ≤ 537.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine with MolForge

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Related Compounds

[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 129193571
3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 129193636
1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193502
3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 129185930
5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-2-methylpentan-2-amine
CID 129185898
tert-butyl N-[3-[3-[2-(aminomethyl)-4-methoxyphenyl]-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propyl]carbamate;sulfanol
CID 145323575
3-[5-[[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129193478
3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]-1-N'-[3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propyl]propane-1,1-diamine
CID 129201034
1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193489
5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193555
3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[(4-methylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine
CID 129185871
3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxyphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 129185967

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine (CID 161268754) is 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine is CC(C)(C)CCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4cc(C)cc(OC)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc(C)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2N)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is VDNNDHOSKDGMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClF3N4O.C34H41F3N4O2.C33H39F3N4O.C32H36ClF3N4O.C31H34ClF3N4O/c1-34(2,3)13-6-14-43-24-31(29-11-10-28(20-27(29)21-40)44-35(37,38)39)30-19-25(9-12-33(30)43)22-41-15-17-42(18-16-41)23-26-7-4-5-8-32(26)36;1-4-5-10-41-23-32(30-8-7-28(19-27(30)20-38)43-34(35,36)37)31-18-25(6-9-33(31)41)21-39-11-13-40(14-12-39)22-26-15-24(2)16-29(17-26)42-3;1-3-4-13-40-23-31(29-11-10-28(19-27(29)20-37)41-33(34,35)36)30-18-26(9-12-32(30)40)22-39-16-14-38(15-17-39)21-25-7-5-24(2)6-8-25;1-2-3-12-40-22-29(27-10-9-26(18-25(27)19-37)41-32(34,35)36)28-17-23(8-11-31(28)40)20-38-13-15-39(16-14-38)21-24-6-4-5-7-30(24)33;1-2-3-12-39-21-27(25-10-9-24(18-29(25)36)40-31(33,34)35)26-17-22(8-11-30(26)39)19-37-13-15-38(16-14-37)20-23-6-4-5-7-28(23)32/h4-5,7-12,19-20,24H,6,13-18,21-23,40H2,1-3H3;6-9,15-19,23H,4-5,10-14,20-22,38H2,1-3H3;5-12,18-19,23H,3-4,13-17,20-22,37H2,1-2H3;4-11,17-18,22H,2-3,12-16,19-21,37H2,1H3;4-11,17-18,21H,2-3,12-16,19-20,36H2,1H3.
What are the key properties of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 2942.81 g/mol, XLogP of 37.65, 50 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 161268754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).