3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one

C11H14ClNO2 — CID 117327645

IUPAC3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
SMILESCOc1cc(Cl)cc(C(=O)CCN)c1C
InChIInChI=1S/C11H14ClNO2/c1-7-9(10(14)3-4-13)5-8(12)6-11(7)15-2/h5-6H,3-4,13H2,1-2H3
InChIKeyZCHGBJAKRRSQRO-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one

3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one (PubChem CID 117327645) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
PubChem CID117327645
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
SMILESCOc1cc(Cl)cc(C(=O)CCN)c1C
InChIInChI=1S/C11H14ClNO2/c1-7-9(10(14)3-4-13)5-8(12)6-11(7)15-2/h5-6H,3-4,13H2,1-2H3
InChIKeyZCHGBJAKRRSQRO-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
3-amino-1-(4-chloro-2-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117356323
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one
CID 117295954
3-amino-1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]propan-1-one
CID 117366578
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
1-(2,5-dichlorophenyl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90363445
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
1-(5-chloro-2,3-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
CID 3088210
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-amino-1-(6-chloro-2,3,4-trimethoxyphenyl)propan-1-one
CID 117436956

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one (CID 117327645) is 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one is COc1cc(Cl)cc(C(=O)CCN)c1C.
What is the InChIKey of 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one?
The InChIKey is ZCHGBJAKRRSQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-9(10(14)3-4-13)5-8(12)6-11(7)15-2/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one?
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one has a molecular weight of 227.69 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one is sourced from PubChem (CID 117327645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).