2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol

C16H16ClF2NO — CID 81356349

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
SMILESC[C@@H](NCC(O)c1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2NO/c1-10(11-5-7-12(17)8-6-11)20-9-15(21)16-13(18)3-2-4-14(16)19/h2-8,10,15,20-21H,9H2,1H3/t10-,15?/m1/s1
InChIKeyYRVNAVFVYHLEHE-INHVJJQHSA-N
MW311.76 g/mol
LogP4.00
Rot. Bonds5

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol (PubChem CID 81356349) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
PubChem CID81356349
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
SMILESC[C@@H](NCC(O)c1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2NO/c1-10(11-5-7-12(17)8-6-11)20-9-15(21)16-13(18)3-2-4-14(16)19/h2-8,10,15,20-21H,9H2,1H3/t10-,15?/m1/s1
InChIKeyYRVNAVFVYHLEHE-INHVJJQHSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902301
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol (CID 81356349) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol is C[C@@H](NCC(O)c1c(F)cccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol?
The InChIKey is YRVNAVFVYHLEHE-INHVJJQHSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-10(11-5-7-12(17)8-6-11)20-9-15(21)16-13(18)3-2-4-14(16)19/h2-8,10,15,20-21H,9H2,1H3/t10-,15?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol has a molecular weight of 311.76 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 81356349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).