[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine

C23H35F3N2 — CID 142934403

IUPAC[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)CC1
InChIInChI=1S/C23H35F3N2/c24-23(25,26)22-12-10-21(11-13-22)17-28(15-19-4-2-1-3-5-19)16-20-8-6-18(14-27)7-9-20/h10-13,18-20H,1-9,14-17,27H2
InChIKeyUDFDIZCHKLBFLD-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.85
Rot. Bonds7

About [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine

[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934403) has the molecular formula C23H35F3N2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934403
Molecular FormulaC23H35F3N2
Molecular Weight396.54 g/mol
Exact Mass396.28
IUPAC Name[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)CC1
InChIInChI=1S/C23H35F3N2/c24-23(25,26)22-12-10-21(11-13-22)17-28(15-19-4-2-1-3-5-19)16-20-8-6-18(14-27)7-9-20/h10-13,18-20H,1-9,14-17,27H2
InChIKeyUDFDIZCHKLBFLD-UHFFFAOYSA-N
XLogP5.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 142934260
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934267
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
1-[4-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116592401

Frequently Asked Questions

What is the IUPAC name of [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (CID 142934403) is [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)CC1.
What is the InChIKey of [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is UDFDIZCHKLBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F3N2/c24-23(25,26)22-12-10-21(11-13-22)17-28(15-19-4-2-1-3-5-19)16-20-8-6-18(14-27)7-9-20/h10-13,18-20H,1-9,14-17,27H2.
What are the key properties of [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 396.54 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).