3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine

C11H15BrFN — CID 117404097

IUPAC3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
SMILESCCc1cc(CCCN)cc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-2-9-6-8(4-3-5-14)7-10(12)11(9)13/h6-7H,2-5,14H2,1H3
InChIKeyZOVMTHJPMAJJFV-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.04
Rot. Bonds4

About 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine

3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine (PubChem CID 117404097) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
PubChem CID117404097
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
SMILESCCc1cc(CCCN)cc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-2-9-6-8(4-3-5-14)7-10(12)11(9)13/h6-7H,2-5,14H2,1H3
InChIKeyZOVMTHJPMAJJFV-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine 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

4-(3-bromo-5-ethyl-2-fluorophenyl)butan-1-amine
CID 117437788
4-(3-bromo-5-ethyl-4-fluorophenyl)butanoic acid
CID 117466926
(3-bromo-5-ethyl-2-fluorophenyl)methanamine
CID 117335693
3-(4-bromo-3,5-difluorophenyl)propan-1-amine
CID 84803840
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
3-(3-bromo-5-ethyl-4-fluorophenyl)-2-methylpropanoic acid
CID 117466920
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine
CID 117367070
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
3-(4-bromo-2,5-difluorophenyl)propan-1-amine
CID 84803842

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine (CID 117404097) is 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine is CCc1cc(CCCN)cc(Br)c1F.
What is the InChIKey of 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine?
The InChIKey is ZOVMTHJPMAJJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-2-9-6-8(4-3-5-14)7-10(12)11(9)13/h6-7H,2-5,14H2,1H3.
What are the key properties of 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine?
3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 117404097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).