1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

C18H24N2O4 — CID 38050852

IUPAC1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCCOc1ncccc1CNCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H24N2O4/c1-5-24-18-13(7-6-8-20-18)11-19-12-14-9-16(22-3)17(23-4)10-15(14)21-2/h6-10,19H,5,11-12H2,1-4H3
InChIKeyMGANTVZTHIRVEQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.80
Rot. Bonds9

About 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 38050852) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID38050852
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCCOc1ncccc1CNCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H24N2O4/c1-5-24-18-13(7-6-8-20-18)11-19-12-14-9-16(22-3)17(23-4)10-15(14)21-2/h6-10,19H,5,11-12H2,1-4H3
InChIKeyMGANTVZTHIRVEQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 38050827
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216677
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66535683
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 66534133
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 38050852) is 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is CCOc1ncccc1CNCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is MGANTVZTHIRVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-24-18-13(7-6-8-20-18)11-19-12-14-9-16(22-3)17(23-4)10-15(14)21-2/h6-10,19H,5,11-12H2,1-4H3.
What are the key properties of 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 332.40 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 38050852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).