N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine

C16H20N2O — CID 62296868

IUPACN-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(CC)c2)nc1
InChIInChI=1S/C16H20N2O/c1-3-13-6-5-7-15(10-13)19-16-9-8-14(12-18-16)11-17-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyDVMAJTOCHPXKOT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.55
Rot. Bonds6

About N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62296868) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62296868
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(CC)c2)nc1
InChIInChI=1S/C16H20N2O/c1-3-13-6-5-7-15(10-13)19-16-9-8-14(12-18-16)11-17-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyDVMAJTOCHPXKOT-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-[(3-methoxyphenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 62289135
2-(3-ethylphenoxy)-5-methylpyridine
CID 135224750
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 80636206
1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058512
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80633976

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 62296868) is N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(CC)c2)nc1.
What is the InChIKey of N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DVMAJTOCHPXKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-13-6-5-7-15(10-13)19-16-9-8-14(12-18-16)11-17-4-2/h5-10,12,17H,3-4,11H2,1-2H3.
What are the key properties of N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62296868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).