(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol

C16H18FNO — CID 63370665

IUPAC(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
SMILESCCN(c1ccccc1)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C16H18FNO/c1-3-18(14-7-5-4-6-8-14)16-10-9-13(12(2)19)11-15(16)17/h4-12,19H,3H2,1-2H3/t12-/m1/s1
InChIKeyPRYRPUCNTRVTKH-GFCCVEGCSA-N
MW259.32 g/mol
LogP4.04
Rot. Bonds4

About (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol

(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol (PubChem CID 63370665) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
PubChem CID63370665
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
SMILESCCN(c1ccccc1)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C16H18FNO/c1-3-18(14-7-5-4-6-8-14)16-10-9-13(12(2)19)11-15(16)17/h4-12,19H,3H2,1-2H3/t12-/m1/s1
InChIKeyPRYRPUCNTRVTKH-GFCCVEGCSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol (CID 63370665) is (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol is CCN(c1ccccc1)c1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol?
The InChIKey is PRYRPUCNTRVTKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18(14-7-5-4-6-8-14)16-10-9-13(12(2)19)11-15(16)17/h4-12,19H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol?
(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol has a molecular weight of 259.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol is sourced from PubChem (CID 63370665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).