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

C11H15BrFNO — CID 81002994

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

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

3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol (PubChem CID 81002994) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
PubChem CID81002994
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO/c1-8(4-5-15)14-7-9-2-3-10(12)11(13)6-9/h2-3,6,8,14-15H,4-5,7H2,1H3
InChIKeyDHYYWCJIZAOEFE-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

(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
4-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81002997
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 103773727
2-[(4-bromo-3-fluorophenyl)methylamino]propanoic acid
CID 81436719
N-[(4-bromo-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103779657
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
CID 103854738
(2R)-N-[(4-bromo-3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 97357883
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol (CID 81002994) is 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol is CC(CCO)NCc1ccc(Br)c(F)c1.
What is the InChIKey of 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is DHYYWCJIZAOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-8(4-5-15)14-7-9-2-3-10(12)11(13)6-9/h2-3,6,8,14-15H,4-5,7H2,1H3.
What are the key properties of 3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol?
3-[(4-bromo-3-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-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 81002994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).