2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine

C15H15BrFN — CID 79449387

IUPAC2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C15H15BrFN/c16-14-7-3-2-6-13(14)12(10-18)9-11-5-1-4-8-15(11)17/h1-8,12H,9-10,18H2
InChIKeyXPWRBMKGSWJQQO-UHFFFAOYSA-N
MW308.19 g/mol
LogP3.87
Rot. Bonds4

About 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine

2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine (PubChem CID 79449387) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
PubChem CID79449387
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C15H15BrFN/c16-14-7-3-2-6-13(14)12(10-18)9-11-5-1-4-8-15(11)17/h1-8,12H,9-10,18H2
InChIKeyXPWRBMKGSWJQQO-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
CID 79448638
[1-(2-bromophenyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105208622
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
2-(2-bromophenyl)pentan-1-amine
CID 79449309
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977372
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine
CID 114026947
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine (CID 79449387) is 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine is NCC(Cc1ccccc1F)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine?
The InChIKey is XPWRBMKGSWJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c16-14-7-3-2-6-13(14)12(10-18)9-11-5-1-4-8-15(11)17/h1-8,12H,9-10,18H2.
What are the key properties of 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine?
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine has a molecular weight of 308.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79449387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).