4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine

C16H26N2 — CID 116937234

IUPAC4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-11-4-9-15(12(2)10-11)16(17)13-5-7-14(18-3)8-6-13/h4,9-10,13-14,16,18H,5-8,17H2,1-3H3
InChIKeyNZVCZDPIGMKLSY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.08
Rot. Bonds3

About 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine

4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116937234) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116937234
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-11-4-9-15(12(2)10-11)16(17)13-5-7-14(18-3)8-6-13/h4,9-10,13-14,16,18H,5-8,17H2,1-3H3
InChIKeyNZVCZDPIGMKLSY-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
CID 116935781
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116937234) is 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(N)c2ccc(C)cc2C)CC1.
What is the InChIKey of 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is NZVCZDPIGMKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-4-9-15(12(2)10-11)16(17)13-5-7-14(18-3)8-6-13/h4,9-10,13-14,16,18H,5-8,17H2,1-3H3.
What are the key properties of 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116937234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).