2-methylbenzene-1,3-diamine;hydrochloride

C7H11ClN2 — CID 3014893

IUPAC2-methylbenzene-1,3-diamine;hydrochloride
SMILESCc1c(N)cccc1N.Cl
InChIInChI=1S/C7H10N2.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,8-9H2,1H3;1H
InChIKeyNHLSZDPFKPSBEW-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.58
Rot. Bonds

About 2-methylbenzene-1,3-diamine;hydrochloride

2-methylbenzene-1,3-diamine;hydrochloride (PubChem CID 3014893) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 2-methylbenzene-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-methylbenzene-1,3-diamine;hydrochloride
PubChem CID3014893
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name2-methylbenzene-1,3-diamine;hydrochloride
SMILESCc1c(N)cccc1N.Cl
InChIInChI=1S/C7H10N2.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,8-9H2,1H3;1H
InChIKeyNHLSZDPFKPSBEW-UHFFFAOYSA-N
XLogP1.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.58
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 2-methylbenzene-1,3-diamine;hydrochloride?
The IUPAC name of 2-methylbenzene-1,3-diamine;hydrochloride (CID 3014893) is 2-methylbenzene-1,3-diamine;hydrochloride.
What is the SMILES notation for 2-methylbenzene-1,3-diamine;hydrochloride?
The canonical SMILES for 2-methylbenzene-1,3-diamine;hydrochloride is Cc1c(N)cccc1N.Cl.
What is the InChIKey of 2-methylbenzene-1,3-diamine;hydrochloride?
The InChIKey is NHLSZDPFKPSBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,8-9H2,1H3;1H.
What are the key properties of 2-methylbenzene-1,3-diamine;hydrochloride?
2-methylbenzene-1,3-diamine;hydrochloride has a molecular weight of 158.63 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzene-1,3-diamine;hydrochloride is sourced from PubChem (CID 3014893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).