4-amino-1-(4-ethoxyphenyl)pentan-1-one

C13H19NO2 — CID 116571550

IUPAC4-amino-1-(4-ethoxyphenyl)pentan-1-one
SMILESCCOc1ccc(C(=O)CCC(C)N)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-12-7-5-11(6-8-12)13(15)9-4-10(2)14/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyOPEBAFLDYLYZOP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds6

About 4-amino-1-(4-ethoxyphenyl)pentan-1-one

4-amino-1-(4-ethoxyphenyl)pentan-1-one (PubChem CID 116571550) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-1-(4-ethoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-ethoxyphenyl)pentan-1-one
PubChem CID116571550
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-amino-1-(4-ethoxyphenyl)pentan-1-one
SMILESCCOc1ccc(C(=O)CCC(C)N)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-12-7-5-11(6-8-12)13(15)9-4-10(2)14/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyOPEBAFLDYLYZOP-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(4-ethoxyphenyl)pentan-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

4-amino-1-(4-hydroxyphenyl)pentan-1-one
CID 155205061
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
CID 83953119
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
CID 24727563
1-(4-ethoxyphenyl)-3-methylpentan-1-one
CID 13257676
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-ethoxyphenyl)pentan-1-one?
The IUPAC name of 4-amino-1-(4-ethoxyphenyl)pentan-1-one (CID 116571550) is 4-amino-1-(4-ethoxyphenyl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(4-ethoxyphenyl)pentan-1-one?
The canonical SMILES for 4-amino-1-(4-ethoxyphenyl)pentan-1-one is CCOc1ccc(C(=O)CCC(C)N)cc1.
What is the InChIKey of 4-amino-1-(4-ethoxyphenyl)pentan-1-one?
The InChIKey is OPEBAFLDYLYZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-12-7-5-11(6-8-12)13(15)9-4-10(2)14/h5-8,10H,3-4,9,14H2,1-2H3.
What are the key properties of 4-amino-1-(4-ethoxyphenyl)pentan-1-one?
4-amino-1-(4-ethoxyphenyl)pentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-ethoxyphenyl)pentan-1-one is sourced from PubChem (CID 116571550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).