2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol

C16H17ClFNO — CID 60714730

IUPAC2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
SMILESCC(NCC(O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(12-2-6-14(17)7-3-12)19-10-16(20)13-4-8-15(18)9-5-13/h2-9,11,16,19-20H,10H2,1H3
InChIKeyKJEMOYSWBMKNHT-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.86
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol

2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 60714730) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
PubChem CID60714730
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
SMILESCC(NCC(O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(12-2-6-14(17)7-3-12)19-10-16(20)13-4-8-15(18)9-5-13/h2-9,11,16,19-20H,10H2,1H3
InChIKeyKJEMOYSWBMKNHT-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
CID 81356349
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
4-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]benzonitrile
CID 60761219
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(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-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol (CID 60714730) is 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol is CC(NCC(O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is KJEMOYSWBMKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(12-2-6-14(17)7-3-12)19-10-16(20)13-4-8-15(18)9-5-13/h2-9,11,16,19-20H,10H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 293.77 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60714730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).