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

C16H20ClN2O3- — CID 53351776

IUPAC1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
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/p-1
InChIKeyZDBPFMOQHLANIJ-UHFFFAOYSA-M
MW323.80 g/mol
LogP-0.60
Rot. Bonds7

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

1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride (PubChem CID 53351776) has the molecular formula C16H20ClN2O3- and a molecular weight of 323.80 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
PubChem CID53351776
Molecular FormulaC16H20ClN2O3-
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
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/p-1
InChIKeyZDBPFMOQHLANIJ-UHFFFAOYSA-M
XLogP-0.60
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292612
1-(pyridin-4-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217097
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292621
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746117

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride?
The IUPAC name of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride (CID 53351776) is 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride.
What is the SMILES notation for 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride?
The canonical SMILES for 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride is COc1cc(CNCc2ccncc2)cc(OC)c1OC.[Cl-].
What is the InChIKey of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride?
The InChIKey is ZDBPFMOQHLANIJ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride?
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride has a molecular weight of 323.80 g/mol, XLogP of -0.60, 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 chloride is sourced from PubChem (CID 53351776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).