2,3-dimethoxy-5-methylaniline

C9H13NO2 — CID 14263216

IUPAC2,3-dimethoxy-5-methylaniline
SMILESCOc1cc(C)cc(N)c1OC
InChIInChI=1S/C9H13NO2/c1-6-4-7(10)9(12-3)8(5-6)11-2/h4-5H,10H2,1-3H3
InChIKeyHKEKKVOQQPLBMV-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.59
Rot. Bonds2

About 2,3-dimethoxy-5-methylaniline

2,3-dimethoxy-5-methylaniline (PubChem CID 14263216) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methylaniline.

Molecular Properties

Compound Name2,3-dimethoxy-5-methylaniline
PubChem CID14263216
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2,3-dimethoxy-5-methylaniline
SMILESCOc1cc(C)cc(N)c1OC
InChIInChI=1S/C9H13NO2/c1-6-4-7(10)9(12-3)8(5-6)11-2/h4-5H,10H2,1-3H3
InChIKeyHKEKKVOQQPLBMV-UHFFFAOYSA-N
XLogP1.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-2,3-dimethoxyaniline
CID 14166975
(2,6-dimethoxy-4-methylphenyl) hypoiodite
CID 163998630
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
3-(1-aminoethyl)-2-methoxy-5-methylaniline
CID 82630793
2,3,5,6-tetramethoxyaniline
CID 19093015
3-amino-2-methoxy-5-methylbenzamide
CID 50882289
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
CID 130424971
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methylaniline?
The IUPAC name of 2,3-dimethoxy-5-methylaniline (CID 14263216) is 2,3-dimethoxy-5-methylaniline.
What is the SMILES notation for 2,3-dimethoxy-5-methylaniline?
The canonical SMILES for 2,3-dimethoxy-5-methylaniline is COc1cc(C)cc(N)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-methylaniline?
The InChIKey is HKEKKVOQQPLBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-4-7(10)9(12-3)8(5-6)11-2/h4-5H,10H2,1-3H3.
What are the key properties of 2,3-dimethoxy-5-methylaniline?
2,3-dimethoxy-5-methylaniline has a molecular weight of 167.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methylaniline is sourced from PubChem (CID 14263216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).