[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine

C16H20N2O3 — CID 63265023

IUPAC[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCCc1cccnc1
InChIInChI=1S/C16H20N2O3/c1-19-14-8-13(10-17)9-15(20-2)16(14)21-7-5-12-4-3-6-18-11-12/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3
InChIKeyZICXWTFDXZXBDX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds7

About [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine

[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine (PubChem CID 63265023) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
PubChem CID63265023
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCCc1cccnc1
InChIInChI=1S/C16H20N2O3/c1-19-14-8-13(10-17)9-15(20-2)16(14)21-7-5-12-4-3-6-18-11-12/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3
InChIKeyZICXWTFDXZXBDX-UHFFFAOYSA-N
XLogP2.18
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
CID 104646966
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine
CID 39222393
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
3-[5-methoxy-2-(2-pyridin-3-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104707028
2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 115962668
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine (CID 63265023) is [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine is COc1cc(CN)cc(OC)c1OCCc1cccnc1.
What is the InChIKey of [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine?
The InChIKey is ZICXWTFDXZXBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-14-8-13(10-17)9-15(20-2)16(14)21-7-5-12-4-3-6-18-11-12/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3.
What are the key properties of [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine?
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 63265023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).