1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol

C17H28N2O — CID 62265226

IUPAC1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
SMILESCCC1CCC(N(C)CC(O)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-13-4-10-16(11-5-13)19(2)12-17(20)14-6-8-15(18)9-7-14/h6-9,13,16-17,20H,3-5,10-12,18H2,1-2H3
InChIKeyVZDVCKBAVJWXKJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol

1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol (PubChem CID 62265226) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
PubChem CID62265226
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
SMILESCCC1CCC(N(C)CC(O)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-13-4-10-16(11-5-13)19(2)12-17(20)14-6-8-15(18)9-7-14/h6-9,13,16-17,20H,3-5,10-12,18H2,1-2H3
InChIKeyVZDVCKBAVJWXKJ-UHFFFAOYSA-N
XLogP3.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol 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 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol (CID 62265226) is 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol is CCC1CCC(N(C)CC(O)c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol?
The InChIKey is VZDVCKBAVJWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-13-4-10-16(11-5-13)19(2)12-17(20)14-6-8-15(18)9-7-14/h6-9,13,16-17,20H,3-5,10-12,18H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol?
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol is sourced from PubChem (CID 62265226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).