1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol

C16H17BrFNO — CID 61416210

IUPAC1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(20)16-14(18)7-4-8-15(16)19(2)10-12-5-3-6-13(17)9-12/h3-9,11,20H,10H2,1-2H3
InChIKeyUQLDKZSVIQVRCY-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.28
Rot. Bonds4

About 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol

1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol (PubChem CID 61416210) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
PubChem CID61416210
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(20)16-14(18)7-4-8-15(16)19(2)10-12-5-3-6-13(17)9-12/h3-9,11,20H,10H2,1-2H3
InChIKeyUQLDKZSVIQVRCY-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

1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 82970103
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
2-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylaniline
CID 78934812
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol (CID 61416210) is 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol is CC(O)c1c(F)cccc1N(C)Cc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol?
The InChIKey is UQLDKZSVIQVRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(20)16-14(18)7-4-8-15(16)19(2)10-12-5-3-6-13(17)9-12/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol?
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]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-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 61416210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).