(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol

C16H18FNO — CID 15983832

IUPAC(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)18-11-16(19)14-7-9-15(17)10-8-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16+/m0/s1
InChIKeyXSTUWZHKGZECJT-BLLLJJGKSA-N
MW259.32 g/mol
LogP3.21
Rot. Bonds5

About (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol

(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol (PubChem CID 15983832) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
PubChem CID15983832
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)18-11-16(19)14-7-9-15(17)10-8-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16+/m0/s1
InChIKeyXSTUWZHKGZECJT-BLLLJJGKSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol with MolForge

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Related Compounds

1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
4-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]benzonitrile
CID 60761219
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol (CID 15983832) is (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol is C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The InChIKey is XSTUWZHKGZECJT-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)18-11-16(19)14-7-9-15(17)10-8-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16+/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol has a molecular weight of 259.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 15983832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).