1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one

C11H14ClNO2 — CID 95447653

IUPAC1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc(OC)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-13-6-5-11(14)9-4-3-8(15-2)7-10(9)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyQHBZKKDVJSXILD-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.14
Rot. Bonds5

About 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one

1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one (PubChem CID 95447653) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
PubChem CID95447653
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc(OC)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-13-6-5-11(14)9-4-3-8(15-2)7-10(9)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyQHBZKKDVJSXILD-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-chloro-4-methoxyphenyl)pentan-1-one
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1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
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1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
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(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
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2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one (CID 95447653) is 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one is CNCCC(=O)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one?
The InChIKey is QHBZKKDVJSXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13-6-5-11(14)9-4-3-8(15-2)7-10(9)12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one?
1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one has a molecular weight of 227.69 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 95447653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).