1-(4-amino-2-chloro-5-methoxyphenyl)ethanone

C9H10ClNO2 — CID 53402810

IUPAC1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(Cl)cc1N
InChIInChI=1S/C9H10ClNO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,11H2,1-2H3
InChIKeyQXIIOUSSVLDJAL-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone

1-(4-amino-2-chloro-5-methoxyphenyl)ethanone (PubChem CID 53402810) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
PubChem CID53402810
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(Cl)cc1N
InChIInChI=1S/C9H10ClNO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,11H2,1-2H3
InChIKeyQXIIOUSSVLDJAL-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.13
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-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
CID 71393549
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
(4-amino-2-chloro-5-methoxyphenyl)methanol
CID 96834541
1-(5-amino-2-chloro-4-ethylphenyl)ethanone
CID 131312926
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
CID 169482171
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone (CID 53402810) is 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone is COc1cc(C(C)=O)c(Cl)cc1N.
What is the InChIKey of 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone?
The InChIKey is QXIIOUSSVLDJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,11H2,1-2H3.
What are the key properties of 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone?
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone has a molecular weight of 199.64 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chloro-5-methoxyphenyl)ethanone is sourced from PubChem (CID 53402810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).