2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde

C11H13Cl2NO2 — CID 115223086

IUPAC2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde
SMILESCOc1cc(Cl)c(CN(C)CC=O)cc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-14(3-4-15)7-8-5-10(13)11(16-2)6-9(8)12/h4-6H,3,7H2,1-2H3
InChIKeyJZVRJLXQILMCHM-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.63
Rot. Bonds5

About 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde

2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde (PubChem CID 115223086) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde
PubChem CID115223086
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde
SMILESCOc1cc(Cl)c(CN(C)CC=O)cc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-14(3-4-15)7-8-5-10(13)11(16-2)6-9(8)12/h4-6H,3,7H2,1-2H3
InChIKeyJZVRJLXQILMCHM-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde 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

2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetonitrile
CID 75482847
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223085
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223032
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl-methylamino]acetaldehyde
CID 115223153
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 115259987
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
3-(5-chloro-2-hydroxy-4-methoxyphenyl)propanal
CID 117305887
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
3-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]propanal
CID 174901017
4-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]butanenitrile
CID 115231812

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde?
The IUPAC name of 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde (CID 115223086) is 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde.
What is the SMILES notation for 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde?
The canonical SMILES for 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde is COc1cc(Cl)c(CN(C)CC=O)cc1Cl.
What is the InChIKey of 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde?
The InChIKey is JZVRJLXQILMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-14(3-4-15)7-8-5-10(13)11(16-2)6-9(8)12/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde?
2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde has a molecular weight of 262.14 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde is sourced from PubChem (CID 115223086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).