1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol

C16H17F2NO — CID 61412978

IUPAC1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(20)13-5-8-16(15(18)9-13)19(2)10-12-3-6-14(17)7-4-12/h3-9,11,20H,10H2,1-2H3
InChIKeyQNLGWZKNMBXDPK-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.65
Rot. Bonds4

About 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol

1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol (PubChem CID 61412978) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
PubChem CID61412978
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(20)13-5-8-16(15(18)9-13)19(2)10-12-3-6-14(17)7-4-12/h3-9,11,20H,10H2,1-2H3
InChIKeyQNLGWZKNMBXDPK-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984
1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 61417600
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
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 63371058
1-[4-[(2-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61416049

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol (CID 61412978) is 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol is CC(O)c1ccc(N(C)Cc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is QNLGWZKNMBXDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(20)13-5-8-16(15(18)9-13)19(2)10-12-3-6-14(17)7-4-12/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
1-[3-fluoro-4-[(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 1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 61412978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).