2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine

C14H23NO2 — CID 116716256

IUPAC2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine
SMILESCCOc1ccccc1C(N)C(CC)OCC
InChIInChI=1S/C14H23NO2/c1-4-12(16-5-2)14(15)11-9-7-8-10-13(11)17-6-3/h7-10,12,14H,4-6,15H2,1-3H3
InChIKeySHLYHHPVWMNVGQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds7

About 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine

2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine (PubChem CID 116716256) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine
PubChem CID116716256
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine
SMILESCCOc1ccccc1C(N)C(CC)OCC
InChIInChI=1S/C14H23NO2/c1-4-12(16-5-2)14(15)11-9-7-8-10-13(11)17-6-3/h7-10,12,14H,4-6,15H2,1-3H3
InChIKeySHLYHHPVWMNVGQ-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine 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

(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine
CID 116810773
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
CID 116771976
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol
CID 171261737

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine (CID 116716256) is 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine is CCOc1ccccc1C(N)C(CC)OCC.
What is the InChIKey of 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine?
The InChIKey is SHLYHHPVWMNVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(16-5-2)14(15)11-9-7-8-10-13(11)17-6-3/h7-10,12,14H,4-6,15H2,1-3H3.
What are the key properties of 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine?
2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine is sourced from PubChem (CID 116716256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).