4,5-dimethoxy-3-N-methylbenzene-1,3-diamine

C9H14N2O2 — CID 163969412

IUPAC4,5-dimethoxy-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(N)cc(OC)c1OC
InChIInChI=1S/C9H14N2O2/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,11H,10H2,1-3H3
InChIKeySORAVHOODHGIOX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.33
Rot. Bonds3

About 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine

4,5-dimethoxy-3-N-methylbenzene-1,3-diamine (PubChem CID 163969412) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-3-N-methylbenzene-1,3-diamine
PubChem CID163969412
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4,5-dimethoxy-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(N)cc(OC)c1OC
InChIInChI=1S/C9H14N2O2/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,11H,10H2,1-3H3
InChIKeySORAVHOODHGIOX-UHFFFAOYSA-N
XLogP1.33
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetramethoxyaniline
CID 19093015
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
3-cyclopropyl-4,5-dimethoxyaniline
CID 89107680
3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
CID 89149885
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
8-fluoro-4-methoxynaphthalen-2-amine
CID 105444772
4-methoxy-8-methylnaphthalen-2-amine
CID 105442632
3-methoxy-1-N-methylbenzene-1,2,4-triamine
CID 141404394
(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 82183619
(5-amino-2,3-dimethoxyphenyl)-(azepan-1-yl)methanone
CID 82183793
7-amino-5-methoxynaphthalen-2-ol
CID 105443487

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine (CID 163969412) is 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine is CNc1cc(N)cc(OC)c1OC.
What is the InChIKey of 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine?
The InChIKey is SORAVHOODHGIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,11H,10H2,1-3H3.
What are the key properties of 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine?
4,5-dimethoxy-3-N-methylbenzene-1,3-diamine has a molecular weight of 182.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 163969412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).