N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine

C17H20N2O — CID 125485994

IUPACN-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine
SMILESCNC[C@@H]1C[C@H](c2ccccc2)[C@@H](c2cccnc2)O1
InChIInChI=1S/C17H20N2O/c1-18-12-15-10-16(13-6-3-2-4-7-13)17(20-15)14-8-5-9-19-11-14/h2-9,11,15-18H,10,12H2,1H3/t15-,16+,17+/m0/s1
InChIKeyPLWHIJHKBUIQJY-GVDBMIGSSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine

N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine (PubChem CID 125485994) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine
PubChem CID125485994
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine
SMILESCNC[C@@H]1C[C@H](c2ccccc2)[C@@H](c2cccnc2)O1
InChIInChI=1S/C17H20N2O/c1-18-12-15-10-16(13-6-3-2-4-7-13)17(20-15)14-8-5-9-19-11-14/h2-9,11,15-18H,10,12H2,1H3/t15-,16+,17+/m0/s1
InChIKeyPLWHIJHKBUIQJY-GVDBMIGSSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine
CID 62451204
(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
CID 125472906
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
dimethyl-phenyl-[(1S,2R)-2-pyridin-3-ylcyclopropyl]silane
CID 134966228
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
3-(2-phenylmethoxycyclopropyl)pyridine
CID 174946029
3-(2-bromocyclopropyl)pyridine
CID 130539890
3-[[(2R)-1-methyl-3-phenylpyrrolidin-2-yl]methoxy]pyridine
CID 169279292
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280
3-[2-(4-phenylphenyl)cyclohexyl]pyridine
CID 175611155

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine (CID 125485994) is N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine is CNC[C@@H]1C[C@H](c2ccccc2)[C@@H](c2cccnc2)O1.
What is the InChIKey of N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine?
The InChIKey is PLWHIJHKBUIQJY-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-12-15-10-16(13-6-3-2-4-7-13)17(20-15)14-8-5-9-19-11-14/h2-9,11,15-18H,10,12H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine?
N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine is sourced from PubChem (CID 125485994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).