1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol

C17H20FNO — CID 81355439

IUPAC1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-12-6-8-14(9-7-12)13(2)19-11-17(20)15-4-3-5-16(18)10-15/h3-10,13,17,19-20H,11H2,1-2H3/t13-,17?/m1/s1
InChIKeyOSJQYOCYRHGFNG-FWJOYPJLSA-N
MW273.35 g/mol
LogP3.52
Rot. Bonds5

About 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol

1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol (PubChem CID 81355439) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
PubChem CID81355439
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-12-6-8-14(9-7-12)13(2)19-11-17(20)15-4-3-5-16(18)10-15/h3-10,13,17,19-20H,11H2,1-2H3/t13-,17?/m1/s1
InChIKeyOSJQYOCYRHGFNG-FWJOYPJLSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355811
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol (CID 81355439) is 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol is Cc1ccc([C@@H](C)NCC(O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
The InChIKey is OSJQYOCYRHGFNG-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-6-8-14(9-7-12)13(2)19-11-17(20)15-4-3-5-16(18)10-15/h3-10,13,17,19-20H,11H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol has a molecular weight of 273.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 81355439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).