N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine

C16H20N2O3 — CID 43589047

IUPACN-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1cccnc1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-17-14(11-6-5-9-18-10-11)12-7-8-13(19-2)16(21-4)15(12)20-3/h5-10,14,17H,1-4H3
InChIKeyMHMFUEHJWBTKDO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.42
Rot. Bonds6

About N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine

N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 43589047) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID43589047
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1cccnc1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-17-14(11-6-5-9-18-10-11)12-7-8-13(19-2)16(21-4)15(12)20-3/h5-10,14,17H,1-4H3
InChIKeyMHMFUEHJWBTKDO-UHFFFAOYSA-N
XLogP2.42
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43635857
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
2-(3,4-dimethoxyphenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 60924306
1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 115799898
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715
N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589020
[(3-chloro-4,5-dimethoxyphenyl)-pyridin-3-ylmethyl]hydrazine
CID 105204624
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
1-(5-chlorofuran-2-yl)-N-methyl-1-pyridin-3-ylmethanamine
CID 106691503
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine (CID 43589047) is N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine is CNC(c1cccnc1)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is MHMFUEHJWBTKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-14(11-6-5-9-18-10-11)12-7-8-13(19-2)16(21-4)15(12)20-3/h5-10,14,17H,1-4H3.
What are the key properties of N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine?
N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 288.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43589047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).