(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine

C15H16FNOS — CID 46956016

IUPAC(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
SMILESFc1ccc([C@@H]2COC[C@H]2NCc2ccsc2)cc1
InChIInChI=1S/C15H16FNOS/c16-13-3-1-12(2-4-13)14-8-18-9-15(14)17-7-11-5-6-19-10-11/h1-6,10,14-15,17H,7-9H2/t14-,15+/m0/s1
InChIKeyMTZYPSUGJZFYHT-LSDHHAIUSA-N
MW277.36 g/mol
LogP3.16
Rot. Bonds4

About (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine

(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine (PubChem CID 46956016) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
PubChem CID46956016
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
SMILESFc1ccc([C@@H]2COC[C@H]2NCc2ccsc2)cc1
InChIInChI=1S/C15H16FNOS/c16-13-3-1-12(2-4-13)14-8-18-9-15(14)17-7-11-5-6-19-10-11/h1-6,10,14-15,17H,7-9H2/t14-,15+/m0/s1
InChIKeyMTZYPSUGJZFYHT-LSDHHAIUSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 46869266
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine
CID 45219700
2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 71981378
(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 123374453
[5-[[4-(2-Fluorophenyl)-1-morpholin-4-ylsulfanylpyrrolidin-2-yl]methylsulfanyl]thiophen-2-yl]methanamine
CID 168246844
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-phenyl-N-(1-(thiophen-2-yl)ethyl)propan-1-amine
CID 2956773
(2R)-2-[(5-methylthiophen-2-yl)methylamino]-2-phenylethanol
CID 83304955
(2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 86799455
(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol
CID 10570189
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 45240435
(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 46956002
2-(4-Fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 55038725

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine (CID 46956016) is (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine is Fc1ccc([C@@H]2COC[C@H]2NCc2ccsc2)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine?
The InChIKey is MTZYPSUGJZFYHT-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H16FNOS/c16-13-3-1-12(2-4-13)14-8-18-9-15(14)17-7-11-5-6-19-10-11/h1-6,10,14-15,17H,7-9H2/t14-,15+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine?
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine has a molecular weight of 277.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 46956016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).