(3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine

C16H17FN2O — CID 154870028

IUPAC(3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine
SMILESF[C@@H]1COC[C@@H]1NCc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H17FN2O/c17-14-10-20-11-16(14)19-9-12-4-3-5-13(8-12)15-6-1-2-7-18-15/h1-8,14,16,19H,9-11H2/t14-,16+/m1/s1
InChIKeySDLCEHNWGDSWMN-ZBFHGGJFSA-N
MW272.32 g/mol
LogP2.58
Rot. Bonds4

About (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine

(3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine (PubChem CID 154870028) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine
PubChem CID154870028
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine
SMILESF[C@@H]1COC[C@@H]1NCc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H17FN2O/c17-14-10-20-11-16(14)19-9-12-4-3-5-13(8-12)15-6-1-2-7-18-15/h1-8,14,16,19H,9-11H2/t14-,16+/m1/s1
InChIKeySDLCEHNWGDSWMN-ZBFHGGJFSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
CID 140871795
2-methyl-N-[(3-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 122602486
3-[(3-pyridin-2-ylphenyl)methyl]morpholine
CID 118936323
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide
CID 124514244
2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
(3aR,5R,6S,7aS)-2-[(3-pyridin-2-ylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56882860
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide
CID 155949161
azane;(3E)-4-(2-fluorophenyl)-N-[(3-pyridin-2-ylphenyl)methyl]buta-1,3-dien-2-amine
CID 142190252

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine (CID 154870028) is (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine is F[C@@H]1COC[C@@H]1NCc1cccc(-c2ccccn2)c1.
What is the InChIKey of (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine?
The InChIKey is SDLCEHNWGDSWMN-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-10-20-11-16(14)19-9-12-4-3-5-13(8-12)15-6-1-2-7-18-15/h1-8,14,16,19H,9-11H2/t14-,16+/m1/s1.
What are the key properties of (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine?
(3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine has a molecular weight of 272.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-N-[(3-pyridin-2-ylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 154870028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).