1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone

C13H18ClNO3 — CID 117432208

IUPAC1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
SMILESCCc1c(C(=O)CNC)cc(OC)c(OC)c1Cl
InChIInChI=1S/C13H18ClNO3/c1-5-8-9(10(16)7-15-2)6-11(17-3)13(18-4)12(8)14/h6,15H,5,7H2,1-4H3
InChIKeyPMKICWLRAOGLSP-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.32
Rot. Bonds6

About 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone

1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone (PubChem CID 117432208) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
PubChem CID117432208
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
SMILESCCc1c(C(=O)CNC)cc(OC)c(OC)c1Cl
InChIInChI=1S/C13H18ClNO3/c1-5-8-9(10(16)7-15-2)6-11(17-3)13(18-4)12(8)14/h6,15H,5,7H2,1-4H3
InChIKeyPMKICWLRAOGLSP-UHFFFAOYSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
CID 117432206
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone (CID 117432208) is 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone is CCc1c(C(=O)CNC)cc(OC)c(OC)c1Cl.
What is the InChIKey of 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is PMKICWLRAOGLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-5-8-9(10(16)7-15-2)6-11(17-3)13(18-4)12(8)14/h6,15H,5,7H2,1-4H3.
What are the key properties of 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 271.74 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117432208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).