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

C23H28ClF3N2 — CID 142934367

IUPAC[4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccccc2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H28ClF3N2/c24-22-11-10-20(12-21(22)23(25,26)27)16-29(14-18-4-2-1-3-5-18)15-19-8-6-17(13-28)7-9-19/h1-5,10-12,17,19H,6-9,13-16,28H2
InChIKeyUTXFKACNYOGXKT-UHFFFAOYSA-N
MW424.94 g/mol
LogP6.13
Rot. Bonds7

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

[4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934367) has the molecular formula C23H28ClF3N2 and a molecular weight of 424.94 g/mol. Its IUPAC name is [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934367
Molecular FormulaC23H28ClF3N2
Molecular Weight424.94 g/mol
Exact Mass424.19
IUPAC Name[4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccccc2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H28ClF3N2/c24-22-11-10-20(12-21(22)23(25,26)27)16-29(14-18-4-2-1-3-5-18)15-19-8-6-17(13-28)7-9-19/h1-5,10-12,17,19H,6-9,13-16,28H2
InChIKeyUTXFKACNYOGXKT-UHFFFAOYSA-N
XLogP6.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.94
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[benzyl-[[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
[4-(4-Chloro-3-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine
CID 13408736
(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 52514484
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
N'-[[4-(4-chlorophenyl)phenyl]methyl]-N'-methylbutane-1,4-diamine
CID 44534320
1-[(4-Chlorophenyl)methyl]-4,4-difluoro-3-[2-(2-fluorophenyl)ethyl]piperidine
CID 134145321
1-[(4-Chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine
CID 134154411
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

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (CID 142934367) is [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccccc2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is UTXFKACNYOGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF3N2/c24-22-11-10-20(12-21(22)23(25,26)27)16-29(14-18-4-2-1-3-5-18)15-19-8-6-17(13-28)7-9-19/h1-5,10-12,17,19H,6-9,13-16,28H2.
What are the key properties of [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 424.94 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).