N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

C15H19ClN2O2 — CID 24746804

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCOc1ccc(CNCc2ccncc2)c(OC)c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-18-14-4-3-13(15(9-14)19-2)11-17-10-12-5-7-16-8-6-12;/h3-9,17H,10-11H2,1-2H3;1H
InChIKeyAXVQCZYMXOEQML-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.81
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 24746804) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID24746804
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCOc1ccc(CNCc2ccncc2)c(OC)c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-18-14-4-3-13(15(9-14)19-2)11-17-10-12-5-7-16-8-6-12;/h3-9,17H,10-11H2,1-2H3;1H
InChIKeyAXVQCZYMXOEQML-UHFFFAOYSA-N
XLogP2.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 24746804) is N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is COc1ccc(CNCc2ccncc2)c(OC)c1.Cl.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is AXVQCZYMXOEQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-18-14-4-3-13(15(9-14)19-2)11-17-10-12-5-7-16-8-6-12;/h3-9,17H,10-11H2,1-2H3;1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 24746804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).