N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine

C16H20N2O3 — CID 62297385

IUPACN-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(OC)cc(OC)c2)nc1
InChIInChI=1S/C16H20N2O3/c1-4-17-10-12-5-6-16(18-11-12)21-15-8-13(19-2)7-14(9-15)20-3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyUUCDXHLWPVJSSK-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.00
Rot. Bonds7

About N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62297385) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62297385
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(OC)cc(OC)c2)nc1
InChIInChI=1S/C16H20N2O3/c1-4-17-10-12-5-6-16(18-11-12)21-15-8-13(19-2)7-14(9-15)20-3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyUUCDXHLWPVJSSK-UHFFFAOYSA-N
XLogP3.00
TPSA52.61 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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
N-[[6-[(3-methoxyphenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 62289135
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636920
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55244250
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine (CID 62297385) is N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Oc2cc(OC)cc(OC)c2)nc1.
What is the InChIKey of N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is UUCDXHLWPVJSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-17-10-12-5-6-16(18-11-12)21-15-8-13(19-2)7-14(9-15)20-3/h5-9,11,17H,4,10H2,1-3H3.
What are the key properties of N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 288.35 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62297385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).