1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

C14H17ClN2 — CID 44782427

IUPAC1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccccn2)cc1.Cl
InChIInChI=1S/C14H16N2.ClH/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14;/h2-9,15H,10-11H2,1H3;1H
InChIKeyVQHOBWJBMGEOSW-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (PubChem CID 44782427) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
PubChem CID44782427
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccccn2)cc1.Cl
InChIInChI=1S/C14H16N2.ClH/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14;/h2-9,15H,10-11H2,1H3;1H
InChIKeyVQHOBWJBMGEOSW-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 125114228
N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
CID 159589094

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (CID 44782427) is 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is Cc1ccc(CNCc2ccccn2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is VQHOBWJBMGEOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.ClH/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14;/h2-9,15H,10-11H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 248.76 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 44782427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).