2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine

C18H22N2O — CID 61039844

IUPAC2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
SMILESc1ccc(C(NCCC2CCCO2)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-2-7-15(8-3-1)18(17-10-4-5-12-19-17)20-13-11-16-9-6-14-21-16/h1-5,7-8,10,12,16,18,20H,6,9,11,13-14H2
InChIKeyXJJVAKCZECJPSI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.33
Rot. Bonds6

About 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine

2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine (PubChem CID 61039844) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
PubChem CID61039844
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
SMILESc1ccc(C(NCCC2CCCO2)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-2-7-15(8-3-1)18(17-10-4-5-12-19-17)20-13-11-16-9-6-14-21-16/h1-5,7-8,10,12,16,18,20H,6,9,11,13-14H2
InChIKeyXJJVAKCZECJPSI-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 102977996
(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
CID 100894383
1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine
CID 66446842
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine (CID 61039844) is 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine is c1ccc(C(NCCC2CCCO2)c2ccccn2)cc1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The InChIKey is XJJVAKCZECJPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-7-15(8-3-1)18(17-10-4-5-12-19-17)20-13-11-16-9-6-14-21-16/h1-5,7-8,10,12,16,18,20H,6,9,11,13-14H2.
What are the key properties of 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine is sourced from PubChem (CID 61039844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).