2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol

C15H23NO2 — CID 137427200

IUPAC2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol
SMILESCc1ccc(C(O)NC2CCC(C)CC2)c(O)c1
InChIInChI=1S/C15H23NO2/c1-10-3-6-12(7-4-10)16-15(18)13-8-5-11(2)9-14(13)17/h5,8-10,12,15-18H,3-4,6-7H2,1-2H3
InChIKeyWFRAZHDLCIWFNV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.86
Rot. Bonds3

About 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol

2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol (PubChem CID 137427200) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol.

Molecular Properties

Compound Name2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol
PubChem CID137427200
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol
SMILESCc1ccc(C(O)NC2CCC(C)CC2)c(O)c1
InChIInChI=1S/C15H23NO2/c1-10-3-6-12(7-4-10)16-15(18)13-8-5-11(2)9-14(13)17/h5,8-10,12,15-18H,3-4,6-7H2,1-2H3
InChIKeyWFRAZHDLCIWFNV-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol?
The IUPAC name of 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol (CID 137427200) is 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol.
What is the SMILES notation for 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol?
The canonical SMILES for 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol is Cc1ccc(C(O)NC2CCC(C)CC2)c(O)c1.
What is the InChIKey of 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol?
The InChIKey is WFRAZHDLCIWFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-3-6-12(7-4-10)16-15(18)13-8-5-11(2)9-14(13)17/h5,8-10,12,15-18H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol?
2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol has a molecular weight of 249.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol is sourced from PubChem (CID 137427200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).