2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol

C13H19BrFNO — CID 60967044

IUPAC2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFNO/c1-2-3-6-16(7-8-17)10-11-4-5-12(15)9-13(11)14/h4-5,9,17H,2-3,6-8,10H2,1H3
InChIKeyRFCIHUVFLJLFEW-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.18
Rot. Bonds7

About 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol

2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol (PubChem CID 60967044) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
PubChem CID60967044
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFNO/c1-2-3-6-16(7-8-17)10-11-4-5-12(15)9-13(11)14/h4-5,9,17H,2-3,6-8,10H2,1H3
InChIKeyRFCIHUVFLJLFEW-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol
CID 11624042
2-[[butyl(2-hydroxyethyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 64763758
5-fluoro-2-[[2-hydroxyethyl(pentyl)amino]methyl]benzonitrile
CID 111120315
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 102878570
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
N-(2-chloroethyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63389032
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
2-[(2-bromo-4-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425936
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
4-fluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarbothioamide
CID 64765415
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol (CID 60967044) is 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol is CCCCN(CCO)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol?
The InChIKey is RFCIHUVFLJLFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-2-3-6-16(7-8-17)10-11-4-5-12(15)9-13(11)14/h4-5,9,17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol?
2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol has a molecular weight of 304.20 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol is sourced from PubChem (CID 60967044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).