1-(3-ethylanilino)ethanol

C10H15NO — CID 174601913

IUPAC1-(3-ethylanilino)ethanol
SMILESCCc1cccc(NC(C)O)c1
InChIInChI=1S/C10H15NO/c1-3-9-5-4-6-10(7-9)11-8(2)12/h4-8,11-12H,3H2,1-2H3
InChIKeyJWYWMWGGQYEKAT-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.00
Rot. Bonds3

About 1-(3-ethylanilino)ethanol

1-(3-ethylanilino)ethanol (PubChem CID 174601913) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-ethylanilino)ethanol.

Molecular Properties

Compound Name1-(3-ethylanilino)ethanol
PubChem CID174601913
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3-ethylanilino)ethanol
SMILESCCc1cccc(NC(C)O)c1
InChIInChI=1S/C10H15NO/c1-3-9-5-4-6-10(7-9)11-8(2)12/h4-8,11-12H,3H2,1-2H3
InChIKeyJWYWMWGGQYEKAT-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-ethylanilino)ethanol 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

3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
3-ethyl-N-pentan-2-ylaniline
CID 43102191
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
3-ethyl-N-propan-2-ylsulfanylaniline
CID 166883017
(3-ethylanilino) thiohypofluorite
CID 175524944
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43102819
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083698
2-(3-ethylanilino)-N'-hydroxybutanimidamide
CID 77027287
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylanilino)ethanol?
The IUPAC name of 1-(3-ethylanilino)ethanol (CID 174601913) is 1-(3-ethylanilino)ethanol.
What is the SMILES notation for 1-(3-ethylanilino)ethanol?
The canonical SMILES for 1-(3-ethylanilino)ethanol is CCc1cccc(NC(C)O)c1.
What is the InChIKey of 1-(3-ethylanilino)ethanol?
The InChIKey is JWYWMWGGQYEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-9-5-4-6-10(7-9)11-8(2)12/h4-8,11-12H,3H2,1-2H3.
What are the key properties of 1-(3-ethylanilino)ethanol?
1-(3-ethylanilino)ethanol has a molecular weight of 165.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylanilino)ethanol is sourced from PubChem (CID 174601913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).