4-methyl-3-(2-methylphenyl)cyclohexan-1-amine

C14H21N — CID 165497411

IUPAC4-methyl-3-(2-methylphenyl)cyclohexan-1-amine
SMILESCc1ccccc1C1CC(N)CCC1C
InChIInChI=1S/C14H21N/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h3-6,11-12,14H,7-9,15H2,1-2H3
InChIKeyZCHFFZQAEDAFJL-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.23
Rot. Bonds1

About 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine

4-methyl-3-(2-methylphenyl)cyclohexan-1-amine (PubChem CID 165497411) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)cyclohexan-1-amine
PubChem CID165497411
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-methyl-3-(2-methylphenyl)cyclohexan-1-amine
SMILESCc1ccccc1C1CC(N)CCC1C
InChIInChI=1S/C14H21N/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h3-6,11-12,14H,7-9,15H2,1-2H3
InChIKeyZCHFFZQAEDAFJL-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine (CID 165497411) is 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine is Cc1ccccc1C1CC(N)CCC1C.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine?
The InChIKey is ZCHFFZQAEDAFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h3-6,11-12,14H,7-9,15H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine?
4-methyl-3-(2-methylphenyl)cyclohexan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 165497411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).