1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

C16H26N2 — CID 79066805

IUPAC1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1ccccc1C(N)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H26N2/c1-13-9-5-6-10-14(13)15(17)16(18(2)3)11-7-4-8-12-16/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3
InChIKeyDWTGTMLDJGPPQR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds3

About 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066805) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066805
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1ccccc1C(N)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H26N2/c1-13-9-5-6-10-14(13)15(17)16(18(2)3)11-7-4-8-12-16/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3
InChIKeyDWTGTMLDJGPPQR-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79081682
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065985
1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79988703
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114688379

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066805) is 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is Cc1ccccc1C(N)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is DWTGTMLDJGPPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-9-5-6-10-14(13)15(17)16(18(2)3)11-7-4-8-12-16/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3.
What are the key properties of 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).