4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine

C15H23ClN2 — CID 61417130

IUPAC4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1cccc(Cl)c1)CC1CCC(N)CC1
InChIInChI=1S/C15H23ClN2/c1-18(10-12-5-7-15(17)8-6-12)11-13-3-2-4-14(16)9-13/h2-4,9,12,15H,5-8,10-11,17H2,1H3
InChIKeyUYLQQMQCDLIOOE-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.29
Rot. Bonds4

About 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine

4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine (PubChem CID 61417130) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
PubChem CID61417130
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1cccc(Cl)c1)CC1CCC(N)CC1
InChIInChI=1S/C15H23ClN2/c1-18(10-12-5-7-15(17)8-6-12)11-13-3-2-4-14(16)9-13/h2-4,9,12,15H,5-8,10-11,17H2,1H3
InChIKeyUYLQQMQCDLIOOE-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63494407
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866419
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine (CID 61417130) is 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine is CN(Cc1cccc(Cl)c1)CC1CCC(N)CC1.
What is the InChIKey of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is UYLQQMQCDLIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(10-12-5-7-15(17)8-6-12)11-13-3-2-4-14(16)9-13/h2-4,9,12,15H,5-8,10-11,17H2,1H3.
What are the key properties of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 61417130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).