1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine

C12H17BrFN — CID 62601740

IUPAC1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-6-15-9(2)7-10-4-5-11(13)8-12(10)14/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyJHFLNOUYZNGBBU-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine

1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 62601740) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
PubChem CID62601740
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-6-15-9(2)7-10-4-5-11(13)8-12(10)14/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyJHFLNOUYZNGBBU-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-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

1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535624
1-(4-bromo-2-fluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 62603016
1-(2-fluoro-4-nitrophenyl)-N-propylpropan-2-amine
CID 63200211
N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
N-[2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106829981
N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790489
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114906702
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 63415854
1-(4-bromo-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116661987

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine (CID 62601740) is 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is JHFLNOUYZNGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-6-15-9(2)7-10-4-5-11(13)8-12(10)14/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine?
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine has a molecular weight of 274.18 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 62601740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).