2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol

C11H14BrF2NO — CID 107484838

IUPAC2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Br)cc1)CC(F)F
InChIInChI=1S/C11H14BrF2NO/c12-10-3-1-9(2-4-10)7-15(5-6-16)8-11(13)14/h1-4,11,16H,5-8H2
InChIKeyZMSYAJFDWJCXGG-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.51
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484838) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484838
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Br)cc1)CC(F)F
InChIInChI=1S/C11H14BrF2NO/c12-10-3-1-9(2-4-10)7-15(5-6-16)8-11(13)14/h1-4,11,16H,5-8H2
InChIKeyZMSYAJFDWJCXGG-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
2-[(3-amino-4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478656
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485432
2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478617
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 107479915
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 107485701
N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 107494442
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107484838) is 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol is OCCN(Cc1ccc(Br)cc1)CC(F)F.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is ZMSYAJFDWJCXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c12-10-3-1-9(2-4-10)7-15(5-6-16)8-11(13)14/h1-4,11,16H,5-8H2.
What are the key properties of 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 294.14 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).