2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol

C16H25NO — CID 113355725

IUPAC2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
SMILESCc1cccc(CN[C@@H](C)C2CCCCC2)c1O
InChIInChI=1S/C16H25NO/c1-12-7-6-10-15(16(12)18)11-17-13(2)14-8-4-3-5-9-14/h6-7,10,13-14,17-18H,3-5,8-9,11H2,1-2H3/t13-/m0/s1
InChIKeyVEWLTOXKONMSAG-ZDUSSCGKSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds4

About 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol

2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol (PubChem CID 113355725) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
PubChem CID113355725
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
SMILESCc1cccc(CN[C@@H](C)C2CCCCC2)c1O
InChIInChI=1S/C16H25NO/c1-12-7-6-10-15(16(12)18)11-17-13(2)14-8-4-3-5-9-14/h6-7,10,13-14,17-18H,3-5,8-9,11H2,1-2H3/t13-/m0/s1
InChIKeyVEWLTOXKONMSAG-ZDUSSCGKSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol 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

2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730932
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine
CID 63479047
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol (CID 113355725) is 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol is Cc1cccc(CN[C@@H](C)C2CCCCC2)c1O.
What is the InChIKey of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol?
The InChIKey is VEWLTOXKONMSAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-6-10-15(16(12)18)11-17-13(2)14-8-4-3-5-9-14/h6-7,10,13-14,17-18H,3-5,8-9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol?
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol has a molecular weight of 247.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol is sourced from PubChem (CID 113355725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).