[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine

C23H26Cl3F3N2 — CID 142934274

IUPAC[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H26Cl3F3N2/c24-19-7-6-18(22(26)10-19)14-31(12-16-3-1-15(11-30)2-4-16)13-17-5-8-21(25)20(9-17)23(27,28)29/h5-10,15-16H,1-4,11-14,30H2
InChIKeySNERGLOSZHQRFZ-UHFFFAOYSA-N
MW493.83 g/mol
LogP7.43
Rot. Bonds7

About [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934274) has the molecular formula C23H26Cl3F3N2 and a molecular weight of 493.83 g/mol. Its IUPAC name is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934274
Molecular FormulaC23H26Cl3F3N2
Molecular Weight493.83 g/mol
Exact Mass492.11
IUPAC Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H26Cl3F3N2/c24-19-7-6-18(22(26)10-19)14-31(12-16-3-1-15(11-30)2-4-16)13-17-5-8-21(25)20(9-17)23(27,28)29/h5-10,15-16H,1-4,11-14,30H2
InChIKeySNERGLOSZHQRFZ-UHFFFAOYSA-N
XLogP7.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.83
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)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-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine
CID 17159064
1-(2-(2,4-Dichlorophenyl)-1-phenylethyl)piperazine
CID 44414760
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-[(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
N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
CID 44534637
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 155527692

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine (CID 142934274) is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is SNERGLOSZHQRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl3F3N2/c24-19-7-6-18(22(26)10-19)14-31(12-16-3-1-15(11-30)2-4-16)13-17-5-8-21(25)20(9-17)23(27,28)29/h5-10,15-16H,1-4,11-14,30H2.
What are the key properties of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 493.83 g/mol, XLogP of 7.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[(2,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).