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

C9H12ClNO — CID 82053312

IUPAC3-chloro-6-methoxy-2,4-dimethylaniline
SMILESCOc1cc(C)c(Cl)c(C)c1N
InChIInChI=1S/C9H12ClNO/c1-5-4-7(12-3)9(11)6(2)8(5)10/h4H,11H2,1-3H3
InChIKeyNIRNGCSJTWLYGT-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.55
Rot. Bonds1

About 3-chloro-6-methoxy-2,4-dimethylaniline

3-chloro-6-methoxy-2,4-dimethylaniline (PubChem CID 82053312) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2,4-dimethylaniline.

Molecular Properties

Compound Name3-chloro-6-methoxy-2,4-dimethylaniline
PubChem CID82053312
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-chloro-6-methoxy-2,4-dimethylaniline
SMILESCOc1cc(C)c(Cl)c(C)c1N
InChIInChI=1S/C9H12ClNO/c1-5-4-7(12-3)9(11)6(2)8(5)10/h4H,11H2,1-3H3
InChIKeyNIRNGCSJTWLYGT-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-(3-methylphenoxy)aniline
CID 3368159
2-Amino-4-chloro-3,5-dimethyl-phenol hydrochloride
CID 16192990
2-Amino-4-chloro-3,5-dimethylphenol
CID 224484
5-Chloro-2-(4-chloro-3-methylphenoxy)benzenamine
CID 4487552
2-Methoxy-4,6-bis(trifluoromethyl)benzenamine
CID 57363099
5-Chloro-2-methoxy-4-(trifluoromethyl)aniline
CID 122246990
2,2'-Dichloro-5,5'-dimethoxybenzidine
CID 79951
2-Methoxy-4,6-dimethylaniline
CID 11815944
2-Chloro-3'-fluoro-5-methoxy-[1,1'-biphenyl]-4-amine
CID 117737280
2-Methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
5-chloro-2-methoxy-4-[(2R)-2-(trifluoromethyl)cyclopropyl]aniline
CID 166892794
5-Chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline
CID 166892803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2,4-dimethylaniline?
The IUPAC name of 3-chloro-6-methoxy-2,4-dimethylaniline (CID 82053312) is 3-chloro-6-methoxy-2,4-dimethylaniline.
What is the SMILES notation for 3-chloro-6-methoxy-2,4-dimethylaniline?
The canonical SMILES for 3-chloro-6-methoxy-2,4-dimethylaniline is COc1cc(C)c(Cl)c(C)c1N.
What is the InChIKey of 3-chloro-6-methoxy-2,4-dimethylaniline?
The InChIKey is NIRNGCSJTWLYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-5-4-7(12-3)9(11)6(2)8(5)10/h4H,11H2,1-3H3.
What are the key properties of 3-chloro-6-methoxy-2,4-dimethylaniline?
3-chloro-6-methoxy-2,4-dimethylaniline has a molecular weight of 185.65 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2,4-dimethylaniline is sourced from PubChem (CID 82053312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).