(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol

C16H18FNO — CID 78940802

IUPAC(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
SMILESCCN(c1ccc([C@@H](C)O)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-3-18(16-6-4-5-14(17)11-16)15-9-7-13(8-10-15)12(2)19/h4-12,19H,3H2,1-2H3/t12-/m1/s1
InChIKeyFDXRNWAMOMUHJE-GFCCVEGCSA-N
MW259.32 g/mol
LogP4.04
Rot. Bonds4

About (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol

(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol (PubChem CID 78940802) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
PubChem CID78940802
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
SMILESCCN(c1ccc([C@@H](C)O)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-3-18(16-6-4-5-14(17)11-16)15-9-7-13(8-10-15)12(2)19/h4-12,19H,3H2,1-2H3/t12-/m1/s1
InChIKeyFDXRNWAMOMUHJE-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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Related Compounds

1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
CID 63370665
3-(N-ethyl-3-fluoroanilino)butan-2-ol
CID 78977221
3-[4-(N-ethyl-3-fluoroanilino)phenyl]prop-2-enoic acid
CID 76999912
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol
CID 55185186
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385
1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
CID 83118884
(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 78940914
2-chloro-4-(N-ethyl-3-fluoroanilino)benzenecarbothioamide
CID 62947464
1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55130733

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol (CID 78940802) is (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol is CCN(c1ccc([C@@H](C)O)cc1)c1cccc(F)c1.
What is the InChIKey of (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol?
The InChIKey is FDXRNWAMOMUHJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18(16-6-4-5-14(17)11-16)15-9-7-13(8-10-15)12(2)19/h4-12,19H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol?
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]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-ethyl-3-fluoroanilino)phenyl]ethanol is sourced from PubChem (CID 78940802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).