(3,4-dimethylphenyl)methanamine;hydrochloride

C9H14ClN — CID 53423775

IUPAC(3,4-dimethylphenyl)methanamine;hydrochloride
SMILESCc1ccc(CN)cc1C.Cl
InChIInChI=1S/C9H13N.ClH/c1-7-3-4-9(6-10)5-8(7)2;/h3-5H,6,10H2,1-2H3;1H
InChIKeyLNWTYZPFKHGCFM-UHFFFAOYSA-N
MW171.67 g/mol
LogP2.18
Rot. Bonds1

About (3,4-dimethylphenyl)methanamine;hydrochloride

(3,4-dimethylphenyl)methanamine;hydrochloride (PubChem CID 53423775) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is (3,4-dimethylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,4-dimethylphenyl)methanamine;hydrochloride
PubChem CID53423775
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name(3,4-dimethylphenyl)methanamine;hydrochloride
SMILESCc1ccc(CN)cc1C.Cl
InChIInChI=1S/C9H13N.ClH/c1-7-3-4-9(6-10)5-8(7)2;/h3-5H,6,10H2,1-2H3;1H
InChIKeyLNWTYZPFKHGCFM-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)methanamine;hydrochloride?
The IUPAC name of (3,4-dimethylphenyl)methanamine;hydrochloride (CID 53423775) is (3,4-dimethylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3,4-dimethylphenyl)methanamine;hydrochloride?
The canonical SMILES for (3,4-dimethylphenyl)methanamine;hydrochloride is Cc1ccc(CN)cc1C.Cl.
What is the InChIKey of (3,4-dimethylphenyl)methanamine;hydrochloride?
The InChIKey is LNWTYZPFKHGCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-7-3-4-9(6-10)5-8(7)2;/h3-5H,6,10H2,1-2H3;1H.
What are the key properties of (3,4-dimethylphenyl)methanamine;hydrochloride?
(3,4-dimethylphenyl)methanamine;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 53423775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).