3,4-dimethylbenzene-1,2-diamine

C8H12N2 — CID 521077

IUPAC3,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1C
InChIInChI=1S/C8H12N2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H,9-10H2,1-2H3
InChIKeyMHQULXYNBKWNDF-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds

About 3,4-dimethylbenzene-1,2-diamine

3,4-dimethylbenzene-1,2-diamine (PubChem CID 521077) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,4-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-dimethylbenzene-1,2-diamine
PubChem CID521077
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1C
InChIInChI=1S/C8H12N2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H,9-10H2,1-2H3
InChIKeyMHQULXYNBKWNDF-UHFFFAOYSA-N
XLogP1.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Diaminotoluene
CID 10332
2,3-Diaminotoluene
CID 17593
2,5-Diaminotoluene
CID 7252
1,5-Diaminonaphthalene
CID 16720
3,4-Dimethylaniline
CID 7248
2,5-Dimethylaniline
CID 7259
2,4,5-Trimethylaniline
CID 8717
Yellow No. 2
CID 6824
4-Isopropylaniline
CID 7464
2-Ethylaniline
CID 11357
2,3-Dimethylaniline
CID 6893
3,3'-Diaminobenzidine
CID 7071

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylbenzene-1,2-diamine?
The IUPAC name of 3,4-dimethylbenzene-1,2-diamine (CID 521077) is 3,4-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3,4-dimethylbenzene-1,2-diamine is Cc1ccc(N)c(N)c1C.
What is the InChIKey of 3,4-dimethylbenzene-1,2-diamine?
The InChIKey is MHQULXYNBKWNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H,9-10H2,1-2H3.
What are the key properties of 3,4-dimethylbenzene-1,2-diamine?
3,4-dimethylbenzene-1,2-diamine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 521077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).