[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine

C22H35ClN2 — CID 142934612

IUPAC[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2cccc(Cl)c2)CC2CCCCC2)CC1
InChIInChI=1S/C22H35ClN2/c23-22-8-4-7-21(13-22)17-25(15-19-5-2-1-3-6-19)16-20-11-9-18(14-24)10-12-20/h4,7-8,13,18-20H,1-3,5-6,9-12,14-17,24H2
InChIKeyCNWBXFOEDQAOES-UHFFFAOYSA-N
MW362.99 g/mol
LogP5.49
Rot. Bonds7

About [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine

[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine (PubChem CID 142934612) has the molecular formula C22H35ClN2 and a molecular weight of 362.99 g/mol. Its IUPAC name is [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
PubChem CID142934612
Molecular FormulaC22H35ClN2
Molecular Weight362.99 g/mol
Exact Mass362.25
IUPAC Name[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2cccc(Cl)c2)CC2CCCCC2)CC1
InChIInChI=1S/C22H35ClN2/c23-22-8-4-7-21(13-22)17-25(15-19-5-2-1-3-6-19)16-20-11-9-18(14-24)10-12-20/h4,7-8,13,18-20H,1-3,5-6,9-12,14-17,24H2
InChIKeyCNWBXFOEDQAOES-UHFFFAOYSA-N
XLogP5.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.99
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
CID 23848664
N-[[3-(aminomethyl)phenyl]methyl]-N-[(3-chlorophenyl)methyl]-1-cyclohexylmethanamine;2,2-difluoropropanoic acid
CID 142934256
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934267
[4-[[bis[(3-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;propanoic acid
CID 142934541
3-chloroaniline;cyclopropylmethanamine
CID 69484094
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 63497587
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine (CID 142934612) is [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2cccc(Cl)c2)CC2CCCCC2)CC1.
What is the InChIKey of [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine?
The InChIKey is CNWBXFOEDQAOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN2/c23-22-8-4-7-21(13-22)17-25(15-19-5-2-1-3-6-19)16-20-11-9-18(14-24)10-12-20/h4,7-8,13,18-20H,1-3,5-6,9-12,14-17,24H2.
What are the key properties of [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine?
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine has a molecular weight of 362.99 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).