2-chloro-4-methoxy-N,6-dimethylaniline

C9H12ClNO — CID 23348982

IUPAC2-chloro-4-methoxy-N,6-dimethylaniline
SMILESCNc1c(C)cc(OC)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-4-7(12-3)5-8(10)9(6)11-2/h4-5,11H,1-3H3
InChIKeyODNIYEACOMQPRI-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.70
Rot. Bonds2

About 2-chloro-4-methoxy-N,6-dimethylaniline

2-chloro-4-methoxy-N,6-dimethylaniline (PubChem CID 23348982) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N,6-dimethylaniline.

Molecular Properties

Compound Name2-chloro-4-methoxy-N,6-dimethylaniline
PubChem CID23348982
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-4-methoxy-N,6-dimethylaniline
SMILESCNc1c(C)cc(OC)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-4-7(12-3)5-8(10)9(6)11-2/h4-5,11H,1-3H3
InChIKeyODNIYEACOMQPRI-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methoxy-6-methylaniline
CID 12909337
2-chloro-4-methoxy-6-methylphenol
CID 122163446
N-ethyl-4-methoxy-2,6-dimethylaniline
CID 23348858
2-chloro-5-methoxy-3-methylphenol
CID 144544904
5-methoxy-N,2,3-trimethylaniline
CID 123380294
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
N-(2,6-dimethylphenyl)-4-methoxy-2,6-dimethylaniline
CID 146163191
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537
1-(bromomethyl)-2-chloro-5-methoxy-3-methylbenzene
CID 22965884
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N,6-dimethylaniline?
The IUPAC name of 2-chloro-4-methoxy-N,6-dimethylaniline (CID 23348982) is 2-chloro-4-methoxy-N,6-dimethylaniline.
What is the SMILES notation for 2-chloro-4-methoxy-N,6-dimethylaniline?
The canonical SMILES for 2-chloro-4-methoxy-N,6-dimethylaniline is CNc1c(C)cc(OC)cc1Cl.
What is the InChIKey of 2-chloro-4-methoxy-N,6-dimethylaniline?
The InChIKey is ODNIYEACOMQPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-4-7(12-3)5-8(10)9(6)11-2/h4-5,11H,1-3H3.
What are the key properties of 2-chloro-4-methoxy-N,6-dimethylaniline?
2-chloro-4-methoxy-N,6-dimethylaniline has a molecular weight of 185.65 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N,6-dimethylaniline is sourced from PubChem (CID 23348982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).