2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol

C13H19BrFNO — CID 115250941

IUPAC2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-3-10(9-17)7-16(2)8-11-6-12(14)4-5-13(11)15/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyYVWDZECDRGOZLZ-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.04
Rot. Bonds6

About 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol

2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol (PubChem CID 115250941) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
PubChem CID115250941
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-3-10(9-17)7-16(2)8-11-6-12(14)4-5-13(11)15/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyYVWDZECDRGOZLZ-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250906
1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62014573
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255197
N-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252866
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
4-[(5-bromo-2-fluorophenyl)methyl-methylamino]butanenitrile
CID 115231860
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
CID 115259643
2-[(2,5-difluoro-N-methylanilino)methyl]butan-1-ol
CID 115250646

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol (CID 115250941) is 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The InChIKey is YVWDZECDRGOZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-3-10(9-17)7-16(2)8-11-6-12(14)4-5-13(11)15/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol has a molecular weight of 304.20 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).