2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one

C13H19NO2 — CID 116567442

IUPAC2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
SMILESCCc1ccc(C(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H19NO2/c1-3-10-4-6-11(7-5-10)13(15)12(14)8-9-16-2/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyNOHXPHLRROCNBK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds6

About 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one

2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one (PubChem CID 116567442) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
PubChem CID116567442
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
SMILESCCc1ccc(C(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H19NO2/c1-3-10-4-6-11(7-5-10)13(15)12(14)8-9-16-2/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyNOHXPHLRROCNBK-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one 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-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxybutan-1-one
CID 107290956
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
4-(4-ethylphenyl)-3-(2-methoxyethylamino)-4-oxobutanoic acid
CID 82322357
2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
CID 116567245
1-(4-ethylphenyl)-2,2-dipropoxyethanone
CID 14761625
2-amino-1-(3,4-diethoxyphenyl)-5-methoxypentan-1-one
CID 116593857
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
CID 116567259

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one (CID 116567442) is 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one is CCc1ccc(C(=O)C(N)CCOC)cc1.
What is the InChIKey of 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one?
The InChIKey is NOHXPHLRROCNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-10-4-6-11(7-5-10)13(15)12(14)8-9-16-2/h4-7,12H,3,8-9,14H2,1-2H3.
What are the key properties of 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one?
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one is sourced from PubChem (CID 116567442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).