(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol

C16H18FNO — CID 78940914

IUPAC(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol
SMILESCCN(c1ccc(F)cc1)c1ccccc1[C@H](C)O
InChIInChI=1S/C16H18FNO/c1-3-18(14-10-8-13(17)9-11-14)16-7-5-4-6-15(16)12(2)19/h4-12,19H,3H2,1-2H3/t12-/m0/s1
InChIKeyRBOGTXHCXZVLCI-LBPRGKRZSA-N
MW259.32 g/mol
LogP4.04
Rot. Bonds4

About (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol

(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol (PubChem CID 78940914) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol
PubChem CID78940914
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol
SMILESCCN(c1ccc(F)cc1)c1ccccc1[C@H](C)O
InChIInChI=1S/C16H18FNO/c1-3-18(14-10-8-13(17)9-11-14)16-7-5-4-6-15(16)12(2)19/h4-12,19H,3H2,1-2H3/t12-/m0/s1
InChIKeyRBOGTXHCXZVLCI-LBPRGKRZSA-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

Analyze (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55184502
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
1-[5-(N-ethyl-2-fluoroanilino)-2-pyridinyl]ethanol
CID 83132069
N-ethyl-2-[1-(ethylamino)ethyl]-N-phenylaniline
CID 43284278
(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
CID 63370665
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 104834417
2-bromo-6-(N-ethyl-4-fluoroanilino)benzoic acid
CID 114888107

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol (CID 78940914) is (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol is CCN(c1ccc(F)cc1)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
The InChIKey is RBOGTXHCXZVLCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18(14-10-8-13(17)9-11-14)16-7-5-4-6-15(16)12(2)19/h4-12,19H,3H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
(1S)-1-[2-(N-ethyl-4-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 (1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol is sourced from PubChem (CID 78940914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).