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

C24H27ClF6N2 — CID 142934587

IUPAC[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H27ClF6N2/c25-22-10-7-19(11-21(22)24(29,30)31)15-33(13-17-3-1-16(12-32)2-4-17)14-18-5-8-20(9-6-18)23(26,27)28/h5-11,16-17H,1-4,12-15,32H2
InChIKeyJETGXUNBXNRQGG-UHFFFAOYSA-N
MW492.94 g/mol
LogP7.14
Rot. Bonds7

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

[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934587) has the molecular formula C24H27ClF6N2 and a molecular weight of 492.94 g/mol. Its IUPAC name is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934587
Molecular FormulaC24H27ClF6N2
Molecular Weight492.94 g/mol
Exact Mass492.18
IUPAC Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H27ClF6N2/c25-22-10-7-19(11-21(22)24(29,30)31)15-33(13-17-3-1-16(12-32)2-4-17)14-18-5-8-20(9-6-18)23(26,27)28/h5-11,16-17H,1-4,12-15,32H2
InChIKeyJETGXUNBXNRQGG-UHFFFAOYSA-N
XLogP7.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.94
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(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
(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
[4-[2-Chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 82039681
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
N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155539331
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 155545540
Pyridine, 1,2,5,6-tetrahydro-3-(4-chloro-3-(trifluoromethyl)phenyl)-1-(phenylmethyl)-, hydrochloride
CID 3054978

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine (CID 142934587) is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is JETGXUNBXNRQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF6N2/c25-22-10-7-19(11-21(22)24(29,30)31)15-33(13-17-3-1-16(12-32)2-4-17)14-18-5-8-20(9-6-18)23(26,27)28/h5-11,16-17H,1-4,12-15,32H2.
What are the key properties of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 492.94 g/mol, XLogP of 7.14, 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-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).