2-[2-(1-aminopropyl)-N-ethylanilino]ethanol

C13H22N2O — CID 112677936

IUPAC2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
SMILESCCC(N)c1ccccc1N(CC)CCO
InChIInChI=1S/C13H22N2O/c1-3-12(14)11-7-5-6-8-13(11)15(4-2)9-10-16/h5-8,12,16H,3-4,9-10,14H2,1-2H3
InChIKeyNPEOAQVGINRENN-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol

2-[2-(1-aminopropyl)-N-ethylanilino]ethanol (PubChem CID 112677936) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
PubChem CID112677936
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
SMILESCCC(N)c1ccccc1N(CC)CCO
InChIInChI=1S/C13H22N2O/c1-3-12(14)11-7-5-6-8-13(11)15(4-2)9-10-16/h5-8,12,16H,3-4,9-10,14H2,1-2H3
InChIKeyNPEOAQVGINRENN-UHFFFAOYSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1-aminopropyl)-N-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

2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994199
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
N'-[2-(1-aminopropyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115995090

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol?
The IUPAC name of 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol (CID 112677936) is 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol?
The canonical SMILES for 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol is CCC(N)c1ccccc1N(CC)CCO.
What is the InChIKey of 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol?
The InChIKey is NPEOAQVGINRENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-12(14)11-7-5-6-8-13(11)15(4-2)9-10-16/h5-8,12,16H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol?
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol has a molecular weight of 222.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminopropyl)-N-ethylanilino]ethanol is sourced from PubChem (CID 112677936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).