(3-methylphenyl)methanediamine;dihydrochloride

C8H14Cl2N2 — CID 67649251

IUPAC(3-methylphenyl)methanediamine;dihydrochloride
SMILESCc1cccc(C(N)N)c1.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-6-3-2-4-7(5-6)8(9)10;;/h2-5,8H,9-10H2,1H3;2*1H
InChIKeyHKOJBHRILSOMOB-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.75
Rot. Bonds1

About (3-methylphenyl)methanediamine;dihydrochloride

(3-methylphenyl)methanediamine;dihydrochloride (PubChem CID 67649251) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is (3-methylphenyl)methanediamine;dihydrochloride.

Molecular Properties

Compound Name(3-methylphenyl)methanediamine;dihydrochloride
PubChem CID67649251
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC Name(3-methylphenyl)methanediamine;dihydrochloride
SMILESCc1cccc(C(N)N)c1.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-6-3-2-4-7(5-6)8(9)10;;/h2-5,8H,9-10H2,1H3;2*1H
InChIKeyHKOJBHRILSOMOB-UHFFFAOYSA-N
XLogP1.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
CID 156724864
CID 156724864
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
methoxy-(3-methylphenyl)methanamine
CID 116947345
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methanediamine;dihydrochloride?
The IUPAC name of (3-methylphenyl)methanediamine;dihydrochloride (CID 67649251) is (3-methylphenyl)methanediamine;dihydrochloride.
What is the SMILES notation for (3-methylphenyl)methanediamine;dihydrochloride?
The canonical SMILES for (3-methylphenyl)methanediamine;dihydrochloride is Cc1cccc(C(N)N)c1.Cl.Cl.
What is the InChIKey of (3-methylphenyl)methanediamine;dihydrochloride?
The InChIKey is HKOJBHRILSOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2ClH/c1-6-3-2-4-7(5-6)8(9)10;;/h2-5,8H,9-10H2,1H3;2*1H.
What are the key properties of (3-methylphenyl)methanediamine;dihydrochloride?
(3-methylphenyl)methanediamine;dihydrochloride has a molecular weight of 209.12 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methanediamine;dihydrochloride is sourced from PubChem (CID 67649251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).