1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride

C10H14ClNO2 — CID 23470682

IUPAC1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
SMILESCCOc1ccc(N)cc1C(C)=O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-3-13-10-5-4-8(11)6-9(10)7(2)12;/h4-6H,3,11H2,1-2H3;1H
InChIKeyDCANBPWZOVVNEG-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.29
Rot. Bonds3

About 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride

1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride (PubChem CID 23470682) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
PubChem CID23470682
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
SMILESCCOc1ccc(N)cc1C(C)=O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-3-13-10-5-4-8(11)6-9(10)7(2)12;/h4-6H,3,11H2,1-2H3;1H
InChIKeyDCANBPWZOVVNEG-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
1-[5-amino-2-(2-phenylsulfanylethoxy)phenyl]ethanone
CID 116540903
3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
CID 116540898

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride (CID 23470682) is 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride is CCOc1ccc(N)cc1C(C)=O.Cl.
What is the InChIKey of 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride?
The InChIKey is DCANBPWZOVVNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-3-13-10-5-4-8(11)6-9(10)7(2)12;/h4-6H,3,11H2,1-2H3;1H.
What are the key properties of 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride?
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 23470682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).