(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine

C19H20FNO2 — CID 58685558

IUPAC(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
SMILESCN(C)C[C@H](F)[C@@H](Oc1cccc2ccoc12)c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-21(2)13-16(20)18(14-7-4-3-5-8-14)23-17-10-6-9-15-11-12-22-19(15)17/h3-12,16,18H,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyOYCBILITFMGZQL-WMZOPIPTSA-N
MW313.37 g/mol
LogP4.45
Rot. Bonds6

About (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine

(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine (PubChem CID 58685558) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
PubChem CID58685558
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
SMILESCN(C)C[C@H](F)[C@@H](Oc1cccc2ccoc12)c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-21(2)13-16(20)18(14-7-4-3-5-8-14)23-17-10-6-9-15-11-12-22-19(15)17/h3-12,16,18H,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyOYCBILITFMGZQL-WMZOPIPTSA-N
XLogP4.45
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
The IUPAC name of (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine (CID 58685558) is (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine.
What is the SMILES notation for (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
The canonical SMILES for (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine is CN(C)C[C@H](F)[C@@H](Oc1cccc2ccoc12)c1ccccc1.
What is the InChIKey of (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
The InChIKey is OYCBILITFMGZQL-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-21(2)13-16(20)18(14-7-4-3-5-8-14)23-17-10-6-9-15-11-12-22-19(15)17/h3-12,16,18H,13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine has a molecular weight of 313.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58685558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).