3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol

C11H15BrFNO — CID 81421994

IUPAC3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-8(4-5-15)14-7-9-2-3-10(13)6-11(9)12/h2-3,6,8,14-15H,4-5,7H2,1H3
InChIKeyDRXPBNYIZXXNLI-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.45
Rot. Bonds5

About 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol

3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol (PubChem CID 81421994) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
PubChem CID81421994
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-8(4-5-15)14-7-9-2-3-10(13)6-11(9)12/h2-3,6,8,14-15H,4-5,7H2,1H3
InChIKeyDRXPBNYIZXXNLI-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

Analyze 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
CID 103854651
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54953234
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol (CID 81421994) is 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol is CC(CCO)NCc1ccc(F)cc1Br.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is DRXPBNYIZXXNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-8(4-5-15)14-7-9-2-3-10(13)6-11(9)12/h2-3,6,8,14-15H,4-5,7H2,1H3.
What are the key properties of 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol?
3-[(2-bromo-4-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 3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 81421994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).