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

C15H23NO2 — CID 64739906

IUPAC4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol
SMILESCC1CCC(NCc2ccc(O)cc2O)CC1C
InChIInChI=1S/C15H23NO2/c1-10-3-5-13(7-11(10)2)16-9-12-4-6-14(17)8-15(12)18/h4,6,8,10-11,13,16-18H,3,5,7,9H2,1-2H3
InChIKeyNOPDXLWKUHXWFD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.01
Rot. Bonds3

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

4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol (PubChem CID 64739906) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol
PubChem CID64739906
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol
SMILESCC1CCC(NCc2ccc(O)cc2O)CC1C
InChIInChI=1S/C15H23NO2/c1-10-3-5-13(7-11(10)2)16-9-12-4-6-14(17)8-15(12)18/h4,6,8,10-11,13,16-18H,3,5,7,9H2,1-2H3
InChIKeyNOPDXLWKUHXWFD-UHFFFAOYSA-N
XLogP3.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(3,4-dimethylcyclohexyl)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-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
CID 112606932
2-[[(3,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103253362
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746999
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
2-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-fluorobenzonitrile
CID 107904394
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
CID 63378589
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol (CID 64739906) is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol is CC1CCC(NCc2ccc(O)cc2O)CC1C.
What is the InChIKey of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol?
The InChIKey is NOPDXLWKUHXWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-3-5-13(7-11(10)2)16-9-12-4-6-14(17)8-15(12)18/h4,6,8,10-11,13,16-18H,3,5,7,9H2,1-2H3.
What are the key properties of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol?
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol has a molecular weight of 249.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 64739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).