(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine

C18H22N2O — CID 97241292

IUPAC(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc([C@@H](C[C@@H]2CCOC2)NCc2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)18(12-15-9-11-21-14-15)20-13-17-8-4-5-10-19-17/h1-8,10,15,18,20H,9,11-14H2/t15-,18+/m0/s1
InChIKeyYLXBSSPLEVCBSU-MAUKXSAKSA-N
MW282.39 g/mol
LogP3.34
Rot. Bonds6

About (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine

(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 97241292) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID97241292
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc([C@@H](C[C@@H]2CCOC2)NCc2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)18(12-15-9-11-21-14-15)20-13-17-8-4-5-10-19-17/h1-8,10,15,18,20H,9,11-14H2/t15-,18+/m0/s1
InChIKeyYLXBSSPLEVCBSU-MAUKXSAKSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
CID 97334715
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974
1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol
CID 109395452
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
CID 124829415
N-[2-(oxolan-3-yl)-1-phenylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133413468
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 102671285
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine (CID 97241292) is (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine is c1ccc([C@@H](C[C@@H]2CCOC2)NCc2ccccn2)cc1.
What is the InChIKey of (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is YLXBSSPLEVCBSU-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)18(12-15-9-11-21-14-15)20-13-17-8-4-5-10-19-17/h1-8,10,15,18,20H,9,11-14H2/t15-,18+/m0/s1.
What are the key properties of (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 97241292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).