N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine

C16H20N2O2 — CID 116810300

IUPACN-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1c(OC)cccc1OC
InChIInChI=1S/C16H20N2O2/c1-4-18-16(12-7-6-10-17-11-12)15-13(19-2)8-5-9-14(15)20-3/h5-11,16,18H,4H2,1-3H3
InChIKeyBNMMLBJOOWPGAZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine

N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 116810300) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID116810300
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1c(OC)cccc1OC
InChIInChI=1S/C16H20N2O2/c1-4-18-16(12-7-6-10-17-11-12)15-13(19-2)8-5-9-14(15)20-3/h5-11,16,18H,4H2,1-3H3
InChIKeyBNMMLBJOOWPGAZ-UHFFFAOYSA-N
XLogP2.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 116810303
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043570
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine (CID 116810300) is N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1c(OC)cccc1OC.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is BNMMLBJOOWPGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-18-16(12-7-6-10-17-11-12)15-13(19-2)8-5-9-14(15)20-3/h5-11,16,18H,4H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 116810300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).