1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane

C11H16ClNO2 — CID 143401300

IUPAC1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
SMILESCC.COc1ccc(C(C)=O)c(N)c1Cl
InChIInChI=1S/C9H10ClNO2.C2H6/c1-5(12)6-3-4-7(13-2)8(10)9(6)11;1-2/h3-4H,11H2,1-2H3;1-2H3
InChIKeyXPCNOTJGSGVLQV-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.16
Rot. Bonds2

About 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane

1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane (PubChem CID 143401300) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
PubChem CID143401300
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
SMILESCC.COc1ccc(C(C)=O)c(N)c1Cl
InChIInChI=1S/C9H10ClNO2.C2H6/c1-5(12)6-3-4-7(13-2)8(10)9(6)11;1-2/h3-4H,11H2,1-2H3;1-2H3
InChIKeyXPCNOTJGSGVLQV-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.16
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-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
CID 151811277
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
CID 70285532
3-chloro-4-methoxybenzene-1,2-diamine
CID 122129593
1-(4-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022302
2-amino-3-chloro-4-propan-2-yloxybenzamide
CID 67278409
1-[2-chloro-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 118999965
ethyl 3-amino-2-chloro-4-methoxybenzoate
CID 166071385
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
1-(3-amino-2-chloro-4-hydroxyphenyl)ethanone
CID 154212695

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane?
The IUPAC name of 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane (CID 143401300) is 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane.
What is the SMILES notation for 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane?
The canonical SMILES for 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane is CC.COc1ccc(C(C)=O)c(N)c1Cl.
What is the InChIKey of 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane?
The InChIKey is XPCNOTJGSGVLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2.C2H6/c1-5(12)6-3-4-7(13-2)8(10)9(6)11;1-2/h3-4H,11H2,1-2H3;1-2H3.
What are the key properties of 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane?
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane has a molecular weight of 229.71 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane is sourced from PubChem (CID 143401300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).