(2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride

C13H15ClN2 — CID 24747000

IUPAC(2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride
SMILESCc1ccccc1C(N)c1ccncc1.Cl
InChIInChI=1S/C13H14N2.ClH/c1-10-4-2-3-5-12(10)13(14)11-6-8-15-9-7-11;/h2-9,13H,14H2,1H3;1H
InChIKeyBAWKVLOJJPMGPY-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.86
Rot. Bonds2

About (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride

(2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 24747000) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride
PubChem CID24747000
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name(2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride
SMILESCc1ccccc1C(N)c1ccncc1.Cl
InChIInChI=1S/C13H14N2.ClH/c1-10-4-2-3-5-12(10)13(14)11-6-8-15-9-7-11;/h2-9,13H,14H2,1H3;1H
InChIKeyBAWKVLOJJPMGPY-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride (CID 24747000) is (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride is Cc1ccccc1C(N)c1ccncc1.Cl.
What is the InChIKey of (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is BAWKVLOJJPMGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.ClH/c1-10-4-2-3-5-12(10)13(14)11-6-8-15-9-7-11;/h2-9,13H,14H2,1H3;1H.
What are the key properties of (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride?
(2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 234.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 24747000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).