N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine

C14H20ClN — CID 107096673

IUPACN-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
SMILESCc1c(Cl)cccc1CNC1CCCCC1
InChIInChI=1S/C14H20ClN/c1-11-12(6-5-9-14(11)15)10-16-13-7-3-2-4-8-13/h5-6,9,13,16H,2-4,7-8,10H2,1H3
InChIKeyIKOPNZNSZBSBOR-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.07
Rot. Bonds3

About N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine

N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine (PubChem CID 107096673) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
PubChem CID107096673
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
SMILESCc1c(Cl)cccc1CNC1CCCCC1
InChIInChI=1S/C14H20ClN/c1-11-12(6-5-9-14(11)15)10-16-13-7-3-2-4-8-13/h5-6,9,13,16H,2-4,7-8,10H2,1H3
InChIKeyIKOPNZNSZBSBOR-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-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine (CID 107096673) is N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine is Cc1c(Cl)cccc1CNC1CCCCC1.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine?
The InChIKey is IKOPNZNSZBSBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-12(6-5-9-14(11)15)10-16-13-7-3-2-4-8-13/h5-6,9,13,16H,2-4,7-8,10H2,1H3.
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine?
N-[(3-chloro-2-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-2-methylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 107096673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).