1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol

C16H17BrFNO — CID 82970103

IUPAC1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17BrFNO/c1-11(20)15-9-13(17)6-7-16(15)19(2)10-12-4-3-5-14(18)8-12/h3-9,11,20H,10H2,1-2H3
InChIKeyHTCBMJGGOFOVOE-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.28
Rot. Bonds4

About 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol

1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol (PubChem CID 82970103) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
PubChem CID82970103
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17BrFNO/c1-11(20)15-9-13(17)6-7-16(15)19(2)10-12-4-3-5-14(18)8-12/h3-9,11,20H,10H2,1-2H3
InChIKeyHTCBMJGGOFOVOE-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
CID 78939923
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
4-bromo-2-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 43364770
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol
CID 82970441
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
2-[(3-bromophenyl)methyl-methylamino]-5-fluorobenzaldehyde
CID 61416401

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol (CID 82970103) is 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol is CC(O)c1cc(Br)ccc1N(C)Cc1cccc(F)c1.
What is the InChIKey of 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is HTCBMJGGOFOVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(20)15-9-13(17)6-7-16(15)19(2)10-12-4-3-5-14(18)8-12/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol?
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol has a molecular weight of 338.22 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 82970103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).