4-methoxy-2,3-dimethylaniline

C9H13NO — CID 11094809

IUPAC4-methoxy-2,3-dimethylaniline
SMILESCOc1ccc(N)c(C)c1C
InChIInChI=1S/C9H13NO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,10H2,1-3H3
InChIKeyFAQCNWWPXWOMAH-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds1

About 4-methoxy-2,3-dimethylaniline

4-methoxy-2,3-dimethylaniline (PubChem CID 11094809) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylaniline.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylaniline
PubChem CID11094809
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methoxy-2,3-dimethylaniline
SMILESCOc1ccc(N)c(C)c1C
InChIInChI=1S/C9H13NO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,10H2,1-3H3
InChIKeyFAQCNWWPXWOMAH-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.89
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

2,3,4-trimethoxyaniline
CID 15455622
2-butyl-4-methoxy-3-methylaniline
CID 134964054
6-bromo-3-methoxy-2-methylaniline
CID 67280395
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
3-chloro-4-methoxybenzene-1,2-diamine
CID 122129593
3,6-dimethoxy-2-methylphenol
CID 13158257
5-(4-methoxy-2,3-dimethylphenyl)thiophen-2-amine
CID 82475633
3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline
CID 107627279
4-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115124711
6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine
CID 82474066
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylaniline?
The IUPAC name of 4-methoxy-2,3-dimethylaniline (CID 11094809) is 4-methoxy-2,3-dimethylaniline.
What is the SMILES notation for 4-methoxy-2,3-dimethylaniline?
The canonical SMILES for 4-methoxy-2,3-dimethylaniline is COc1ccc(N)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethylaniline?
The InChIKey is FAQCNWWPXWOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,10H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethylaniline?
4-methoxy-2,3-dimethylaniline has a molecular weight of 151.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylaniline is sourced from PubChem (CID 11094809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).