1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol

C16H17F2NO — CID 63867817

IUPAC1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-11(12-5-3-2-4-6-12)19-10-16(20)14-9-13(17)7-8-15(14)18/h2-9,11,16,19-20H,10H2,1H3/t11-,16?/m0/s1
InChIKeyJODMQPTYGHDOMA-CHPOKUKFSA-N
MW277.31 g/mol
LogP3.35
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol

1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol (PubChem CID 63867817) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
PubChem CID63867817
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-11(12-5-3-2-4-6-12)19-10-16(20)14-9-13(17)7-8-15(14)18/h2-9,11,16,19-20H,10H2,1H3/t11-,16?/m0/s1
InChIKeyJODMQPTYGHDOMA-CHPOKUKFSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
CID 60979926
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol (CID 63867817) is 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol is C[C@H](NCC(O)c1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The InChIKey is JODMQPTYGHDOMA-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(12-5-3-2-4-6-12)19-10-16(20)14-9-13(17)7-8-15(14)18/h2-9,11,16,19-20H,10H2,1H3/t11-,16?/m0/s1.
What are the key properties of 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol has a molecular weight of 277.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 63867817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).