(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

C16H25N — CID 11923056

IUPAC(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CN[C@H]2CCC[C@@H](C)[C@@H]2C)cc1
InChIInChI=1S/C16H25N/c1-12-7-9-15(10-8-12)11-17-16-6-4-5-13(2)14(16)3/h7-10,13-14,16-17H,4-6,11H2,1-3H3/t13-,14+,16+/m1/s1
InChIKeyFYDIUROSMPFYHL-YCPHGPKFSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds3

About (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 11923056) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID11923056
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CN[C@H]2CCC[C@@H](C)[C@@H]2C)cc1
InChIInChI=1S/C16H25N/c1-12-7-9-15(10-8-12)11-17-16-6-4-5-13(2)14(16)3/h7-10,13-14,16-17H,4-6,11H2,1-3H3/t13-,14+,16+/m1/s1
InChIKeyFYDIUROSMPFYHL-YCPHGPKFSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-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

(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 79984316
4-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylic acid
CID 92668559

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (CID 11923056) is (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(CN[C@H]2CCC[C@@H](C)[C@@H]2C)cc1.
What is the InChIKey of (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is FYDIUROSMPFYHL-YCPHGPKFSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-9-15(10-8-12)11-17-16-6-4-5-13(2)14(16)3/h7-10,13-14,16-17H,4-6,11H2,1-3H3/t13-,14+,16+/m1/s1.
What are the key properties of (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 11923056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).