(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol

C15H18FNO2 — CID 99852082

IUPAC(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol
SMILESCC[C@@H](NC[C@H](O)c1ccco1)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-2-13(11-6-3-4-7-12(11)16)17-10-14(18)15-8-5-9-19-15/h3-9,13-14,17-18H,2,10H2,1H3/t13-,14+/m1/s1
InChIKeyYMMQFQIATFFQTR-KGLIPLIRSA-N
MW263.31 g/mol
LogP3.19
Rot. Bonds6

About (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol

(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol (PubChem CID 99852082) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol
PubChem CID99852082
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol
SMILESCC[C@@H](NC[C@H](O)c1ccco1)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-2-13(11-6-3-4-7-12(11)16)17-10-14(18)15-8-5-9-19-15/h3-9,13-14,17-18H,2,10H2,1H3/t13-,14+/m1/s1
InChIKeyYMMQFQIATFFQTR-KGLIPLIRSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
3-[1-(2-fluorophenyl)propylamino]-2-methylpropanenitrile
CID 112676990
3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
CID 103948607
(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97160729
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247
1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol (CID 99852082) is (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol is CC[C@@H](NC[C@H](O)c1ccco1)c1ccccc1F.
What is the InChIKey of (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is YMMQFQIATFFQTR-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-13(11-6-3-4-7-12(11)16)17-10-14(18)15-8-5-9-19-15/h3-9,13-14,17-18H,2,10H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol?
(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 263.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 99852082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).