2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride

C18H30ClNO — CID 117066702

IUPAC2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride
SMILESCCN(CC)Cc1cc(C2CCCCC2C)ccc1O.Cl
InChIInChI=1S/C18H29NO.ClH/c1-4-19(5-2)13-16-12-15(10-11-18(16)20)17-9-7-6-8-14(17)3;/h10-12,14,17,20H,4-9,13H2,1-3H3;1H
InChIKeyXVIVPFISHMTJIL-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.95
Rot. Bonds5

About 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride

2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride (PubChem CID 117066702) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride
PubChem CID117066702
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride
SMILESCCN(CC)Cc1cc(C2CCCCC2C)ccc1O.Cl
InChIInChI=1S/C18H29NO.ClH/c1-4-19(5-2)13-16-12-15(10-11-18(16)20)17-9-7-6-8-14(17)3;/h10-12,14,17,20H,4-9,13H2,1-3H3;1H
InChIKeyXVIVPFISHMTJIL-UHFFFAOYSA-N
XLogP4.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride?
The IUPAC name of 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride (CID 117066702) is 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride.
What is the SMILES notation for 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride?
The canonical SMILES for 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride is CCN(CC)Cc1cc(C2CCCCC2C)ccc1O.Cl.
What is the InChIKey of 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride?
The InChIKey is XVIVPFISHMTJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.ClH/c1-4-19(5-2)13-16-12-15(10-11-18(16)20)17-9-7-6-8-14(17)3;/h10-12,14,17,20H,4-9,13H2,1-3H3;1H.
What are the key properties of 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride?
2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride has a molecular weight of 311.90 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride is sourced from PubChem (CID 117066702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).