(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol

C16H19F2NO3 — CID 97232870

IUPAC(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol
SMILESC[C@@H](NC[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2NO3/c1-11(12-5-3-6-13(9-12)22-15(17)18)19-10-16(2,20)14-7-4-8-21-14/h3-9,11,15,19-20H,10H2,1-2H3/t11-,16+/m1/s1
InChIKeyYUSBSWRTCZQGOW-BZNIZROVSA-N
MW311.33 g/mol
LogP3.44
Rot. Bonds7

About (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol

(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol (PubChem CID 97232870) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol
PubChem CID97232870
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol
SMILESC[C@@H](NC[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2NO3/c1-11(12-5-3-6-13(9-12)22-15(17)18)19-10-16(2,20)14-7-4-8-21-14/h3-9,11,15,19-20H,10H2,1-2H3/t11-,16+/m1/s1
InChIKeyYUSBSWRTCZQGOW-BZNIZROVSA-N
XLogP3.44
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol with MolForge

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Related Compounds

1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2,4-dimethylpentan-2-ol
CID 66179772
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79561039
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
CID 103779713
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468736
(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol
CID 97336246
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol (CID 97232870) is (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol is C[C@@H](NC[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1.
What is the InChIKey of (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol?
The InChIKey is YUSBSWRTCZQGOW-BZNIZROVSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-11(12-5-3-6-13(9-12)22-15(17)18)19-10-16(2,20)14-7-4-8-21-14/h3-9,11,15,19-20H,10H2,1-2H3/t11-,16+/m1/s1.
What are the key properties of (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol?
(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol has a molecular weight of 311.33 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 97232870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).