2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride

C11H16ClNO2 — CID 50988222

IUPAC2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
SMILESCCCOc1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12;/h3-6H,2,7-8,12H2,1H3;1H
InChIKeyXNIFIRCNFRAWGA-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride

2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride (PubChem CID 50988222) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
PubChem CID50988222
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
SMILESCCCOc1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12;/h3-6H,2,7-8,12H2,1H3;1H
InChIKeyXNIFIRCNFRAWGA-UHFFFAOYSA-N
XLogP2.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride 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-(4-butoxyphenyl)ethanone;hydrochloride
CID 173461436
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
4-(4-propoxyphenyl)benzamide
CID 23771495
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
4-(2-aminoethyl)-1-(4-propoxyphenyl)heptan-1-one
CID 116582867
2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
CID 65133875
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride (CID 50988222) is 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride is CCCOc1ccc(C(=O)CN)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride?
The InChIKey is XNIFIRCNFRAWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12;/h3-6H,2,7-8,12H2,1H3;1H.
What are the key properties of 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride?
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 50988222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).