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

C10H13BrFNO — CID 62020447

IUPAC2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyBDBFMYUYEDIUPZ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.01
Rot. Bonds4

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

2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol (PubChem CID 62020447) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
PubChem CID62020447
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyBDBFMYUYEDIUPZ-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine
CID 113409211
2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
CID 115879563
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
methyl 3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoate
CID 62012083
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992078
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol (CID 62020447) is 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol?
The InChIKey is BDBFMYUYEDIUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol?
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol has a molecular weight of 262.12 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 62020447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).