N-[(2-methylphenyl)methyl]cyclohexanamine

C14H21N — CID 1225184

IUPACN-[(2-methylphenyl)methyl]cyclohexanamine
SMILESCc1ccccc1CNC1CCCCC1
InChIInChI=1S/C14H21N/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyLKCSEKZOYZOQAS-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.42
Rot. Bonds3

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

N-[(2-methylphenyl)methyl]cyclohexanamine (PubChem CID 1225184) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]cyclohexanamine
PubChem CID1225184
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(2-methylphenyl)methyl]cyclohexanamine
SMILESCc1ccccc1CNC1CCCCC1
InChIInChI=1S/C14H21N/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyLKCSEKZOYZOQAS-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]cyclohexanamine (CID 1225184) is N-[(2-methylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]cyclohexanamine is Cc1ccccc1CNC1CCCCC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]cyclohexanamine?
The InChIKey is LKCSEKZOYZOQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]cyclohexanamine?
N-[(2-methylphenyl)methyl]cyclohexanamine has a molecular weight of 203.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 1225184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).