2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone

C11H14ClNO2 — CID 45117928

IUPAC2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone
SMILESCNc1cc(C)c(OC)cc1C(=O)CCl
InChIInChI=1S/C11H14ClNO2/c1-7-4-9(13-2)8(10(14)6-12)5-11(7)15-3/h4-5,13H,6H2,1-3H3
InChIKeyUDNCQBUUWILCPD-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone

2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone (PubChem CID 45117928) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone
PubChem CID45117928
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone
SMILESCNc1cc(C)c(OC)cc1C(=O)CCl
InChIInChI=1S/C11H14ClNO2/c1-7-4-9(13-2)8(10(14)6-12)5-11(7)15-3/h4-5,13H,6H2,1-3H3
InChIKeyUDNCQBUUWILCPD-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
4-(2-chloroacetyl)-2-methoxy-5-methylbenzaldehyde
CID 171022321
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one
CID 163275234
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
2-chloro-1-(2-chloro-5-iodo-3-methoxyphenyl)ethanone
CID 171003177
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
3-chloro-1-(4,5-dimethoxy-2-methylphenyl)propane-1,2-dione
CID 116822662
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 98015033
2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171028469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone?
The IUPAC name of 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone (CID 45117928) is 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone?
The canonical SMILES for 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone is CNc1cc(C)c(OC)cc1C(=O)CCl.
What is the InChIKey of 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone?
The InChIKey is UDNCQBUUWILCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-4-9(13-2)8(10(14)6-12)5-11(7)15-3/h4-5,13H,6H2,1-3H3.
What are the key properties of 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone?
2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone has a molecular weight of 227.69 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone is sourced from PubChem (CID 45117928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).