(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol

C16H17F2NO — CID 78939980

IUPAC(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c1-11(20)15-9-14(18)7-8-16(15)19(2)10-12-3-5-13(17)6-4-12/h3-9,11,20H,10H2,1-2H3/t11-/m0/s1
InChIKeyYGQLCOQMLJBKOE-NSHDSACASA-N
MW277.31 g/mol
LogP3.65
Rot. Bonds4

About (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol

(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol (PubChem CID 78939980) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
PubChem CID78939980
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c1-11(20)15-9-14(18)7-8-16(15)19(2)10-12-3-5-13(17)6-4-12/h3-9,11,20H,10H2,1-2H3/t11-/m0/s1
InChIKeyYGQLCOQMLJBKOE-NSHDSACASA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
CID 78939923
4-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 61413072
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390
1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 62909049
(1R)-1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 63371054
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 82970103

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol (CID 78939980) is (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol is C[C@H](O)c1cc(F)ccc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is YGQLCOQMLJBKOE-NSHDSACASA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(20)15-9-14(18)7-8-16(15)19(2)10-12-3-5-13(17)6-4-12/h3-9,11,20H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol has a molecular weight of 277.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 78939980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).