2-(3,4-dimethylphenyl)ethanamine;hydrochloride

C10H16ClN — CID 54602520

IUPAC2-(3,4-dimethylphenyl)ethanamine;hydrochloride
SMILESCc1ccc(CCN)cc1C.Cl
InChIInChI=1S/C10H15N.ClH/c1-8-3-4-10(5-6-11)7-9(8)2;/h3-4,7H,5-6,11H2,1-2H3;1H
InChIKeyXBBBDOWBOFGSJI-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.23
Rot. Bonds2

About 2-(3,4-dimethylphenyl)ethanamine;hydrochloride

2-(3,4-dimethylphenyl)ethanamine;hydrochloride (PubChem CID 54602520) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)ethanamine;hydrochloride
PubChem CID54602520
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name2-(3,4-dimethylphenyl)ethanamine;hydrochloride
SMILESCc1ccc(CCN)cc1C.Cl
InChIInChI=1S/C10H15N.ClH/c1-8-3-4-10(5-6-11)7-9(8)2;/h3-4,7H,5-6,11H2,1-2H3;1H
InChIKeyXBBBDOWBOFGSJI-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dimethylphenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenyl)ethanamine;hydrochloride (CID 54602520) is 2-(3,4-dimethylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenyl)ethanamine;hydrochloride is Cc1ccc(CCN)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylphenyl)ethanamine;hydrochloride?
The InChIKey is XBBBDOWBOFGSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.ClH/c1-8-3-4-10(5-6-11)7-9(8)2;/h3-4,7H,5-6,11H2,1-2H3;1H.
What are the key properties of 2-(3,4-dimethylphenyl)ethanamine;hydrochloride?
2-(3,4-dimethylphenyl)ethanamine;hydrochloride has a molecular weight of 185.70 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 54602520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).