(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine

C13H19N — CID 131151319

IUPAC(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
SMILESCc1cccc(C)c1[C@@H](N)C1CCC1
InChIInChI=1S/C13H19N/c1-9-5-3-6-10(2)12(9)13(14)11-7-4-8-11/h3,5-6,11,13H,4,7-8,14H2,1-2H3/t13-/m0/s1
InChIKeyWZUWFHHHGNGPBP-ZDUSSCGKSA-N
MW189.30 g/mol
LogP3.10
Rot. Bonds2

About (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine

(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine (PubChem CID 131151319) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
PubChem CID131151319
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
SMILESCc1cccc(C)c1[C@@H](N)C1CCC1
InChIInChI=1S/C13H19N/c1-9-5-3-6-10(2)12(9)13(14)11-7-4-8-11/h3,5-6,11,13H,4,7-8,14H2,1-2H3/t13-/m0/s1
InChIKeyWZUWFHHHGNGPBP-ZDUSSCGKSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine 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

(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
CID 130839880
(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
CID 131023837
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
CID 167712997
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine?
The IUPAC name of (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine (CID 131151319) is (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine.
What is the SMILES notation for (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine?
The canonical SMILES for (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine is Cc1cccc(C)c1[C@@H](N)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine?
The InChIKey is WZUWFHHHGNGPBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-3-6-10(2)12(9)13(14)11-7-4-8-11/h3,5-6,11,13H,4,7-8,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine?
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine has a molecular weight of 189.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(2,6-dimethylphenyl)methanamine is sourced from PubChem (CID 131151319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).