2,5-dichloro-4-methoxy-N-methylaniline

C8H9Cl2NO — CID 82283226

IUPAC2,5-dichloro-4-methoxy-N-methylaniline
SMILESCNc1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C8H9Cl2NO/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,11H,1-2H3
InChIKeyKGJQXXPOKWQXDW-UHFFFAOYSA-N
MW206.07 g/mol
LogP3.04
Rot. Bonds2

About 2,5-dichloro-4-methoxy-N-methylaniline

2,5-dichloro-4-methoxy-N-methylaniline (PubChem CID 82283226) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-methylaniline
PubChem CID82283226
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2,5-dichloro-4-methoxy-N-methylaniline
SMILESCNc1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C8H9Cl2NO/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,11H,1-2H3
InChIKeyKGJQXXPOKWQXDW-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-4-methoxy-N-methylaniline 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

5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
2,5-dichloro-N-(2-chloroethyl)-4-methoxyaniline
CID 115214609
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
2-[(2,5-dichloro-4-methoxyanilino)methylidene]propanedinitrile
CID 168545306
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80749339
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
tert-butyl 5-chloro-2-methoxy-4-(methylamino)benzoate
CID 118705233
4,5-dichloro-2-ethoxy-N-methylaniline
CID 82553897
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-methylaniline?
The IUPAC name of 2,5-dichloro-4-methoxy-N-methylaniline (CID 82283226) is 2,5-dichloro-4-methoxy-N-methylaniline.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-methylaniline?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-methylaniline is CNc1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-methylaniline?
The InChIKey is KGJQXXPOKWQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,11H,1-2H3.
What are the key properties of 2,5-dichloro-4-methoxy-N-methylaniline?
2,5-dichloro-4-methoxy-N-methylaniline has a molecular weight of 206.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N-methylaniline is sourced from PubChem (CID 82283226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).