(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine

C17H24FNO2 — CID 125419572

IUPAC(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine
SMILESC[C@H](NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCOC1
InChIInChI=1S/C17H24FNO2/c1-12(15-6-8-20-11-15)19-10-14-7-9-21-17(14)13-2-4-16(18)5-3-13/h2-5,12,14-15,17,19H,6-11H2,1H3/t12-,14-,15-,17-/m0/s1
InChIKeyNQXIZMDQDUQHTP-QEWYBTABSA-N
MW293.38 g/mol
LogP2.92
Rot. Bonds5

About (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine

(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine (PubChem CID 125419572) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine
PubChem CID125419572
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine
SMILESC[C@H](NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCOC1
InChIInChI=1S/C17H24FNO2/c1-12(15-6-8-20-11-15)19-10-14-7-9-21-17(14)13-2-4-16(18)5-3-13/h2-5,12,14-15,17,19H,6-11H2,1H3/t12-,14-,15-,17-/m0/s1
InChIKeyNQXIZMDQDUQHTP-QEWYBTABSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine?
The IUPAC name of (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine (CID 125419572) is (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine.
What is the SMILES notation for (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine?
The canonical SMILES for (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine is C[C@H](NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCOC1.
What is the InChIKey of (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine?
The InChIKey is NQXIZMDQDUQHTP-QEWYBTABSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12(15-6-8-20-11-15)19-10-14-7-9-21-17(14)13-2-4-16(18)5-3-13/h2-5,12,14-15,17,19H,6-11H2,1H3/t12-,14-,15-,17-/m0/s1.
What are the key properties of (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine?
(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine has a molecular weight of 293.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine is sourced from PubChem (CID 125419572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).