N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine

C14H20ClN — CID 63195272

IUPACN-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
SMILESCc1ccc(CNC2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-11-7-8-12(9-14(11)15)10-16-13-5-3-2-4-6-13/h7-9,13,16H,2-6,10H2,1H3
InChIKeyDKMOJDIPIJOMLX-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.07
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine

N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine (PubChem CID 63195272) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
PubChem CID63195272
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
SMILESCc1ccc(CNC2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-11-7-8-12(9-14(11)15)10-16-13-5-3-2-4-6-13/h7-9,13,16H,2-6,10H2,1H3
InChIKeyDKMOJDIPIJOMLX-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
5-[(cyclopentylamino)methyl]-2-methylphenol
CID 117221552
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine (CID 63195272) is N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine is Cc1ccc(CNC2CCCCC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine?
The InChIKey is DKMOJDIPIJOMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-7-8-12(9-14(11)15)10-16-13-5-3-2-4-6-13/h7-9,13,16H,2-6,10H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine?
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine has a molecular weight of 237.77 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 63195272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).