(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol

C13H20FNO — CID 138488448

IUPAC(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
SMILESCCC[C@@H](C)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-4-10(2)15-9-13(16)11-5-7-12(14)8-6-11/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t10-,13+/m1/s1
InChIKeyGUNMDEWUASNCIP-MFKMUULPSA-N
MW225.31 g/mol
LogP2.64
Rot. Bonds6

About (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol

(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol (PubChem CID 138488448) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
PubChem CID138488448
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
SMILESCCC[C@@H](C)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-4-10(2)15-9-13(16)11-5-7-12(14)8-6-11/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t10-,13+/m1/s1
InChIKeyGUNMDEWUASNCIP-MFKMUULPSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118004
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
CID 82937633
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
CID 110911200
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol (CID 138488448) is (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol is CCC[C@@H](C)NC[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol?
The InChIKey is GUNMDEWUASNCIP-MFKMUULPSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-10(2)15-9-13(16)11-5-7-12(14)8-6-11/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol?
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol is sourced from PubChem (CID 138488448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).