1-(3-bromo-2-fluorophenyl)butan-1-amine

C10H13BrFN — CID 103692974

IUPAC1-(3-bromo-2-fluorophenyl)butan-1-amine
SMILESCCCC(N)c1cccc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-2-4-9(13)7-5-3-6-8(11)10(7)12/h3,5-6,9H,2,4,13H2,1H3
InChIKeyKKIVKHVMIKWNTK-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)butan-1-amine

1-(3-bromo-2-fluorophenyl)butan-1-amine (PubChem CID 103692974) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)butan-1-amine
PubChem CID103692974
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name1-(3-bromo-2-fluorophenyl)butan-1-amine
SMILESCCCC(N)c1cccc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-2-4-9(13)7-5-3-6-8(11)10(7)12/h3,5-6,9H,2,4,13H2,1H3
InChIKeyKKIVKHVMIKWNTK-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171203694
1-(3-bromo-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106647954
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171203680
1-(3-bromo-2-fluorophenyl)butylhydrazine
CID 106648656
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
1-(3-bromo-2-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 106647676
2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol
CID 107955051

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)butan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)butan-1-amine (CID 103692974) is 1-(3-bromo-2-fluorophenyl)butan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)butan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)butan-1-amine is CCCC(N)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)butan-1-amine?
The InChIKey is KKIVKHVMIKWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-2-4-9(13)7-5-3-6-8(11)10(7)12/h3,5-6,9H,2,4,13H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)butan-1-amine?
1-(3-bromo-2-fluorophenyl)butan-1-amine has a molecular weight of 246.12 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)butan-1-amine is sourced from PubChem (CID 103692974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).