[4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine

C24H26Cl2F6N2 — CID 142934479

IUPAC[4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26Cl2F6N2/c25-21-7-5-17(9-19(21)23(27,28)29)13-34(12-16-3-1-15(11-33)2-4-16)14-18-6-8-22(26)20(10-18)24(30,31)32/h5-10,15-16H,1-4,11-14,33H2
InChIKeyWHDHEQPPFOAFQD-UHFFFAOYSA-N
MW527.38 g/mol
LogP7.80
Rot. Bonds7

About [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine

[4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934479) has the molecular formula C24H26Cl2F6N2 and a molecular weight of 527.38 g/mol. Its IUPAC name is [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934479
Molecular FormulaC24H26Cl2F6N2
Molecular Weight527.38 g/mol
Exact Mass526.14
IUPAC Name[4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26Cl2F6N2/c25-21-7-5-17(9-19(21)23(27,28)29)13-34(12-16-3-1-15(11-33)2-4-16)14-18-6-8-22(26)20(10-18)24(30,31)32/h5-10,15-16H,1-4,11-14,33H2
InChIKeyWHDHEQPPFOAFQD-UHFFFAOYSA-N
XLogP7.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.38
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)--hydrogen chloride (1/2)
CID 9704
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;tetrahydrochloride
CID 90664498
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 155523400
1-[(4-Chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
CID 134155840
N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155518071
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 155529936
N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155539331
N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155547373
Pyridine, 1,2,5,6-tetrahydro-3-(4-chloro-3-(trifluoromethyl)phenyl)-1-(phenylmethyl)-, hydrochloride
CID 3054978
((4-Chloro-3-(trifluoromethyl)phenyl)methyl)(methyl)amine hydrochloride
CID 49795965
N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
CID 44534637

Frequently Asked Questions

What is the IUPAC name of [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (CID 142934479) is [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is WHDHEQPPFOAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2F6N2/c25-21-7-5-17(9-19(21)23(27,28)29)13-34(12-16-3-1-15(11-33)2-4-16)14-18-6-8-22(26)20(10-18)24(30,31)32/h5-10,15-16H,1-4,11-14,33H2.
What are the key properties of [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 527.38 g/mol, XLogP of 7.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[bis[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).