5-chloro-2,4-dimethoxy-N-methylaniline

C9H12ClNO2 — CID 28576065

IUPAC5-chloro-2,4-dimethoxy-N-methylaniline
SMILESCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C9H12ClNO2/c1-11-7-4-6(10)8(12-2)5-9(7)13-3/h4-5,11H,1-3H3
InChIKeyYCHOITKUKXCTLI-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.40
Rot. Bonds3

About 5-chloro-2,4-dimethoxy-N-methylaniline

5-chloro-2,4-dimethoxy-N-methylaniline (PubChem CID 28576065) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-N-methylaniline.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-N-methylaniline
PubChem CID28576065
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name5-chloro-2,4-dimethoxy-N-methylaniline
SMILESCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C9H12ClNO2/c1-11-7-4-6(10)8(12-2)5-9(7)13-3/h4-5,11H,1-3H3
InChIKeyYCHOITKUKXCTLI-UHFFFAOYSA-N
XLogP2.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
CID 43362759
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
1-chloro-5-(dimethylsulfamoylamino)-2,4-dimethoxybenzene
CID 35767285
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxy-N-methylaniline?
The IUPAC name of 5-chloro-2,4-dimethoxy-N-methylaniline (CID 28576065) is 5-chloro-2,4-dimethoxy-N-methylaniline.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-N-methylaniline?
The canonical SMILES for 5-chloro-2,4-dimethoxy-N-methylaniline is CNc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 5-chloro-2,4-dimethoxy-N-methylaniline?
The InChIKey is YCHOITKUKXCTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-11-7-4-6(10)8(12-2)5-9(7)13-3/h4-5,11H,1-3H3.
What are the key properties of 5-chloro-2,4-dimethoxy-N-methylaniline?
5-chloro-2,4-dimethoxy-N-methylaniline has a molecular weight of 201.65 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxy-N-methylaniline is sourced from PubChem (CID 28576065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).