1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone

C10H12ClNO2 — CID 131311738

IUPAC1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone
SMILESCCOc1cc(N)c(Cl)c(C(C)=O)c1
InChIInChI=1S/C10H12ClNO2/c1-3-14-7-4-8(6(2)13)10(11)9(12)5-7/h4-5H,3,12H2,1-2H3
InChIKeyBIJIQMRQYMXYHB-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone

1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone (PubChem CID 131311738) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone
PubChem CID131311738
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone
SMILESCCOc1cc(N)c(Cl)c(C(C)=O)c1
InChIInChI=1S/C10H12ClNO2/c1-3-14-7-4-8(6(2)13)10(11)9(12)5-7/h4-5H,3,12H2,1-2H3
InChIKeyBIJIQMRQYMXYHB-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.52
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-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
ethyl 3-amino-2-chloro-5-methylbenzoate
CID 131383830
1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone
CID 171034047
1-(2-amino-5-ethoxyphenyl)butan-1-one
CID 83987893
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
3-acetyl-5-ethoxy-2-iodobenzaldehyde
CID 171024794
1-(2-amino-5-ethoxyphenyl)pentan-1-one
CID 83987894
3-acetyl-5-ethoxy-2-fluorobenzonitrile
CID 131536022
ethyl 3-amino-2-chloro-5-fluorobenzoate
CID 131282121
3-acetyl-5-ethoxy-2-(trifluoromethyl)benzaldehyde
CID 171023497
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone?
The IUPAC name of 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone (CID 131311738) is 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone is CCOc1cc(N)c(Cl)c(C(C)=O)c1.
What is the InChIKey of 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone?
The InChIKey is BIJIQMRQYMXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-7-4-8(6(2)13)10(11)9(12)5-7/h4-5H,3,12H2,1-2H3.
What are the key properties of 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone?
1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone has a molecular weight of 213.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone is sourced from PubChem (CID 131311738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).