2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol

C16H17ClFNO — CID 43776200

IUPAC2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
SMILESCC(NCC(O)c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11(14-8-7-13(18)9-15(14)17)19-10-16(20)12-5-3-2-4-6-12/h2-9,11,16,19-20H,10H2,1H3
InChIKeyDGVIGFFLAPVOMZ-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.86
Rot. Bonds5

About 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol

2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol (PubChem CID 43776200) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
PubChem CID43776200
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
SMILESCC(NCC(O)c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11(14-8-7-13(18)9-15(14)17)19-10-16(20)12-5-3-2-4-6-12/h2-9,11,16,19-20H,10H2,1H3
InChIKeyDGVIGFFLAPVOMZ-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

N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol?
The IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol (CID 43776200) is 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol.
What is the SMILES notation for 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol?
The canonical SMILES for 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol is CC(NCC(O)c1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol?
The InChIKey is DGVIGFFLAPVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(14-8-7-13(18)9-15(14)17)19-10-16(20)12-5-3-2-4-6-12/h2-9,11,16,19-20H,10H2,1H3.
What are the key properties of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol?
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol 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-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol is sourced from PubChem (CID 43776200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).