4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol

C14H21NO2 — CID 43317735

IUPAC4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
SMILESCC1CCCC(NCc2ccc(O)cc2O)C1
InChIInChI=1S/C14H21NO2/c1-10-3-2-4-12(7-10)15-9-11-5-6-13(16)8-14(11)17/h5-6,8,10,12,15-17H,2-4,7,9H2,1H3
InChIKeyGBHARKXXNFWRBR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.77
Rot. Bonds3

About 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol

4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol (PubChem CID 43317735) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
PubChem CID43317735
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
SMILESCC1CCCC(NCc2ccc(O)cc2O)C1
InChIInChI=1S/C14H21NO2/c1-10-3-2-4-12(7-10)15-9-11-5-6-13(16)8-14(11)17/h5-6,8,10,12,15-17H,2-4,7,9H2,1H3
InChIKeyGBHARKXXNFWRBR-UHFFFAOYSA-N
XLogP2.77
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol 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

4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 64739906
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
6-[[(3-methylcyclohexyl)amino]methyl]pyridin-3-ol
CID 79776311
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 79831119
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol (CID 43317735) is 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol is CC1CCCC(NCc2ccc(O)cc2O)C1.
What is the InChIKey of 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol?
The InChIKey is GBHARKXXNFWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-2-4-12(7-10)15-9-11-5-6-13(16)8-14(11)17/h5-6,8,10,12,15-17H,2-4,7,9H2,1H3.
What are the key properties of 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol?
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol has a molecular weight of 235.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 43317735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).