2-[N-(4-methoxybutyl)anilino]ethanol

C13H21NO2 — CID 111544024

IUPAC2-[N-(4-methoxybutyl)anilino]ethanol
SMILESCOCCCCN(CCO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-16-12-6-5-9-14(10-11-15)13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-12H2,1H3
InChIKeyDYONCZSSWKQHLV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds8

About 2-[N-(4-methoxybutyl)anilino]ethanol

2-[N-(4-methoxybutyl)anilino]ethanol (PubChem CID 111544024) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[N-(4-methoxybutyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-(4-methoxybutyl)anilino]ethanol
PubChem CID111544024
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[N-(4-methoxybutyl)anilino]ethanol
SMILESCOCCCCN(CCO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-16-12-6-5-9-14(10-11-15)13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-12H2,1H3
InChIKeyDYONCZSSWKQHLV-UHFFFAOYSA-N
XLogP1.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-(4-methoxybutyl)anilino]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

N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
CID 155270742
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine
CID 64585765
3-(N-propylanilino)propan-1-ol
CID 101291000
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
N-heptyl-N-pentylaniline
CID 154378615

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methoxybutyl)anilino]ethanol?
The IUPAC name of 2-[N-(4-methoxybutyl)anilino]ethanol (CID 111544024) is 2-[N-(4-methoxybutyl)anilino]ethanol.
What is the SMILES notation for 2-[N-(4-methoxybutyl)anilino]ethanol?
The canonical SMILES for 2-[N-(4-methoxybutyl)anilino]ethanol is COCCCCN(CCO)c1ccccc1.
What is the InChIKey of 2-[N-(4-methoxybutyl)anilino]ethanol?
The InChIKey is DYONCZSSWKQHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-16-12-6-5-9-14(10-11-15)13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-12H2,1H3.
What are the key properties of 2-[N-(4-methoxybutyl)anilino]ethanol?
2-[N-(4-methoxybutyl)anilino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methoxybutyl)anilino]ethanol is sourced from PubChem (CID 111544024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).