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

C19H20FNO2 — CID 58685553

IUPAC(2R,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+/m1/s1
InChIKeyOYCBILITFMGZQL-AEFFLSMTSA-N
MW313.37 g/mol
LogP4.45
Rot. Bonds6

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

(2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine (PubChem CID 58685553) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
PubChem CID58685553
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2R,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+/m1/s1
InChIKeyOYCBILITFMGZQL-AEFFLSMTSA-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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Related Compounds

(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
CID 58685558
7-(1-phenylbutoxy)-1-benzofuran
CID 142187410
(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride
CID 69274127
1-benzofuran-7-yl N,N-dimethylcarbamate
CID 134111675
3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
CID 155302917
3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380553
(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380552
1-benzofuran-7-yloxyboronic acid
CID 171573912
7-prop-2-ynoxy-1-benzofuran
CID 135362386
(4S)-4-(1-benzofuran-7-yloxy)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 166711998
11-(1-benzofuran-7-yloxy)undecan-2-amine
CID 70165041
(2S,3R)-3-(1-benzothiophen-4-yloxy)-2-fluoro-N-methyl-3-phenylpropan-1-amine
CID 58685509

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
The IUPAC name of (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine (CID 58685553) is (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine.
What is the SMILES notation for (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
The canonical SMILES for (2R,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 (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
The InChIKey is OYCBILITFMGZQL-AEFFLSMTSA-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+/m1/s1.
What are the key properties of (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine?
(2R,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 (2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58685553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).