3-methylbenzene-1,2-diamine

C7H10N2 — CID 17593

IUPAC3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N
InChIInChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChIKeyAXNUJYHFQHQZBE-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.16
Rot. Bonds

About 3-methylbenzene-1,2-diamine

3-methylbenzene-1,2-diamine (PubChem CID 17593) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-methylbenzene-1,2-diamine
PubChem CID17593
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N
InChIInChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChIKeyAXNUJYHFQHQZBE-UHFFFAOYSA-N
XLogP1.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbenzene-1,2-diamine?
The IUPAC name of 3-methylbenzene-1,2-diamine (CID 17593) is 3-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-methylbenzene-1,2-diamine?
The canonical SMILES for 3-methylbenzene-1,2-diamine is Cc1cccc(N)c1N.
What is the InChIKey of 3-methylbenzene-1,2-diamine?
The InChIKey is AXNUJYHFQHQZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3.
What are the key properties of 3-methylbenzene-1,2-diamine?
3-methylbenzene-1,2-diamine has a molecular weight of 122.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzene-1,2-diamine is sourced from PubChem (CID 17593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).