N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride

C14H15ClN2O — CID 3058441

IUPACN-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride
SMILESCOc1ccc(/N=C/c2ccncc2)c(C)c1.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-11-9-13(17-2)3-4-14(11)16-10-12-5-7-15-8-6-12;/h3-10H,1-2H3;1H/b16-10+;
InChIKeyFAOFQKXFZXPQEW-QFHYWFJHSA-N
MW262.74 g/mol
LogP3.57
Rot. Bonds3

About N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride

N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride (PubChem CID 3058441) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride
PubChem CID3058441
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride
SMILESCOc1ccc(/N=C/c2ccncc2)c(C)c1.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-11-9-13(17-2)3-4-14(11)16-10-12-5-7-15-8-6-12;/h3-10H,1-2H3;1H/b16-10+;
InChIKeyFAOFQKXFZXPQEW-QFHYWFJHSA-N
XLogP3.57
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride (CID 3058441) is N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride is COc1ccc(/N=C/c2ccncc2)c(C)c1.Cl.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
The InChIKey is FAOFQKXFZXPQEW-QFHYWFJHSA-N. The full InChI is InChI=1S/C14H14N2O.ClH/c1-11-9-13(17-2)3-4-14(11)16-10-12-5-7-15-8-6-12;/h3-10H,1-2H3;1H/b16-10+;.
What are the key properties of N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-1-pyridin-4-ylmethanimine;hydrochloride is sourced from PubChem (CID 3058441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).