(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol

C22H28FNO3 — CID 93147017

IUPAC(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN(Cc1ccccc1F)C[C@@H]1CCCO1
InChIInChI=1S/C22H28FNO3/c23-22-11-5-4-9-19(22)13-24(15-21-10-6-12-27-21)14-20(25)17-26-16-18-7-2-1-3-8-18/h1-5,7-9,11,20-21,25H,6,10,12-17H2/t20-,21+/m1/s1
InChIKeyRWVFZEGBTGFREU-RTWAWAEBSA-N
MW373.47 g/mol
LogP3.38
Rot. Bonds10

About (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol

(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 93147017) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID93147017
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN(Cc1ccccc1F)C[C@@H]1CCCO1
InChIInChI=1S/C22H28FNO3/c23-22-11-5-4-9-19(22)13-24(15-21-10-6-12-27-21)14-20(25)17-26-16-18-7-2-1-3-8-18/h1-5,7-9,11,20-21,25H,6,10,12-17H2/t20-,21+/m1/s1
InChIKeyRWVFZEGBTGFREU-RTWAWAEBSA-N
XLogP3.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol with MolForge

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Related Compounds

2-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78793489
(2S)-1-[(2-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 129422627
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 129421000
(2S)-1-[(3-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162908
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423111
(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129426025
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 129424339
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129419580
(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 129423114
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol (CID 93147017) is (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol is O[C@@H](COCc1ccccc1)CN(Cc1ccccc1F)C[C@@H]1CCCO1.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is RWVFZEGBTGFREU-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H28FNO3/c23-22-11-5-4-9-19(22)13-24(15-21-10-6-12-27-21)14-20(25)17-26-16-18-7-2-1-3-8-18/h1-5,7-9,11,20-21,25H,6,10,12-17H2/t20-,21+/m1/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 373.47 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93147017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).