2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol

C12H17BrFNO — CID 79673319

IUPAC2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-2-3-15(4-5-16)9-10-6-11(13)8-12(14)7-10/h6-8,16H,2-5,9H2,1H3
InChIKeyVSKLWQUABOEFAF-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.79
Rot. Bonds6

About 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol

2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol (PubChem CID 79673319) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
PubChem CID79673319
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-2-3-15(4-5-16)9-10-6-11(13)8-12(14)7-10/h6-8,16H,2-5,9H2,1H3
InChIKeyVSKLWQUABOEFAF-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79709931
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 103349937
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 141138330
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79706916
2-[(3-bromo-2,6-difluorophenyl)methyl-propylamino]ethanol
CID 106268665
methyl 3-[(3-bromo-5-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 79674030
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol (CID 79673319) is 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol?
The InChIKey is VSKLWQUABOEFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-2-3-15(4-5-16)9-10-6-11(13)8-12(14)7-10/h6-8,16H,2-5,9H2,1H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol?
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol has a molecular weight of 290.18 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 79673319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).