1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride

C16H21ClN2O3 — CID 24746782

IUPAC1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccncc2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-19-14-8-13(9-15(20-2)16(14)21-3)11-18-10-12-4-6-17-7-5-12;/h4-9,18H,10-11H2,1-3H3;1H
InChIKeyZDBPFMOQHLANIJ-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.82
Rot. Bonds7

About 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride

1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride (PubChem CID 24746782) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride
PubChem CID24746782
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccncc2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-19-14-8-13(9-15(20-2)16(14)21-3)11-18-10-12-4-6-17-7-5-12;/h4-9,18H,10-11H2,1-3H3;1H
InChIKeyZDBPFMOQHLANIJ-UHFFFAOYSA-N
XLogP2.82
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride (CID 24746782) is 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride is COc1cc(CNCc2ccncc2)cc(OC)c1OC.Cl.
What is the InChIKey of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride?
The InChIKey is ZDBPFMOQHLANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.ClH/c1-19-14-8-13(9-15(20-2)16(14)21-3)11-18-10-12-4-6-17-7-5-12;/h4-9,18H,10-11H2,1-3H3;1H.
What are the key properties of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride?
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 24746782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).