2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol

C11H15BrFNO — CID 79710759

IUPAC2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-2-11(7-15)14-6-8-3-9(12)5-10(13)4-8/h3-5,11,14-15H,2,6-7H2,1H3
InChIKeyXIHMNMHLHBZXLS-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.45
Rot. Bonds5

About 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol

2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol (PubChem CID 79710759) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
PubChem CID79710759
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-2-11(7-15)14-6-8-3-9(12)5-10(13)4-8/h3-5,11,14-15H,2,6-7H2,1H3
InChIKeyXIHMNMHLHBZXLS-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 103924370
(2S,3S)-2-[(3-bromo-5-fluorophenyl)methylamino]-3-methylpentanoic acid
CID 122072906
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
1-bromo-N-[(3,5-difluorophenyl)methyl]pentan-3-amine
CID 105409097
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N-[(3-bromo-5-fluorophenyl)methyl]-1-chloropropan-2-amine
CID 79708710
(2S)-2-[(4-bromo-2-fluorophenyl)methylamino]butan-1-ol
CID 51863621
N-[(3,5-difluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899776
(2S)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 105026288
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 103924355

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol (CID 79710759) is 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol is CCC(CO)NCc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is XIHMNMHLHBZXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-2-11(7-15)14-6-8-3-9(12)5-10(13)4-8/h3-5,11,14-15H,2,6-7H2,1H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol?
2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 79710759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).