4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride

C15H24ClNO — CID 171198721

IUPAC4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
SMILESCc1cc(O)cc(C)c1[C@H](N)C1CCCCC1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10-8-13(17)9-11(2)14(10)15(16)12-6-4-3-5-7-12;/h8-9,12,15,17H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeyGGYVDBIUJKNWAR-XFULWGLBSA-N
MW269.82 g/mol
LogP4.01
Rot. Bonds2

About 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride

4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride (PubChem CID 171198721) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
PubChem CID171198721
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
SMILESCc1cc(O)cc(C)c1[C@H](N)C1CCCCC1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10-8-13(17)9-11(2)14(10)15(16)12-6-4-3-5-7-12;/h8-9,12,15,17H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeyGGYVDBIUJKNWAR-XFULWGLBSA-N
XLogP4.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride 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)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
2-[(R)-amino(cyclohexyl)methyl]benzene-1,3,5-triol
CID 171217046
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202406
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride (CID 171198721) is 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride is Cc1cc(O)cc(C)c1[C@H](N)C1CCCCC1.Cl.
What is the InChIKey of 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride?
The InChIKey is GGYVDBIUJKNWAR-XFULWGLBSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-10-8-13(17)9-11(2)14(10)15(16)12-6-4-3-5-7-12;/h8-9,12,15,17H,3-7,16H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride?
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride is sourced from PubChem (CID 171198721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).