2-methylbenzene-1,3-diamine;dihydrochloride

C7H12Cl2N2 — CID 27324

IUPAC2-methylbenzene-1,3-diamine;dihydrochloride
SMILESCc1c(N)cccc1N.Cl.Cl
InChIInChI=1S/C7H10N2.2ClH/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H
InChIKeyLXIJUYQULXUMDO-UHFFFAOYSA-N
MW195.09 g/mol
LogP2.00
Rot. Bonds

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

2-methylbenzene-1,3-diamine;dihydrochloride (PubChem CID 27324) has the molecular formula C7H12Cl2N2 and a molecular weight of 195.09 g/mol. Its IUPAC name is 2-methylbenzene-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-methylbenzene-1,3-diamine;dihydrochloride
PubChem CID27324
Molecular FormulaC7H12Cl2N2
Molecular Weight195.09 g/mol
Exact Mass194.04
IUPAC Name2-methylbenzene-1,3-diamine;dihydrochloride
SMILESCc1c(N)cccc1N.Cl.Cl
InChIInChI=1S/C7H10N2.2ClH/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H
InChIKeyLXIJUYQULXUMDO-UHFFFAOYSA-N
XLogP2.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 52.00
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

O-Toluidine
CID 7242
2,4-Diaminotoluene
CID 7261
p-Toluidine
CID 7813
M-Phenylenediamine
CID 7935
2,4-Dimethylaniline
CID 7250
2,6-Diaminotoluene
CID 13205
2,3-Diaminotoluene
CID 17593
2,5-Diaminotoluene
CID 7252
2-Methyl-5-Nitroaniline
CID 7444
2,5-Dimethylaniline
CID 7259
m-Toluidine
CID 7934
2-Toluidine hydrochloride
CID 12484

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzene-1,3-diamine;dihydrochloride?
The IUPAC name of 2-methylbenzene-1,3-diamine;dihydrochloride (CID 27324) is 2-methylbenzene-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-methylbenzene-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-methylbenzene-1,3-diamine;dihydrochloride is Cc1c(N)cccc1N.Cl.Cl.
What is the InChIKey of 2-methylbenzene-1,3-diamine;dihydrochloride?
The InChIKey is LXIJUYQULXUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.2ClH/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H.
What are the key properties of 2-methylbenzene-1,3-diamine;dihydrochloride?
2-methylbenzene-1,3-diamine;dihydrochloride has a molecular weight of 195.09 g/mol, XLogP of 2.00, 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;dihydrochloride is sourced from PubChem (CID 27324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).