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

C15H15BrFN — CID 79448953

IUPAC3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H15BrFN/c16-13-5-3-4-11(9-13)8-12(10-18)14-6-1-2-7-15(14)17/h1-7,9,12H,8,10,18H2
InChIKeyABPSVQPZORRWCJ-UHFFFAOYSA-N
MW308.19 g/mol
LogP3.87
Rot. Bonds4

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

3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine (PubChem CID 79448953) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
PubChem CID79448953
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H15BrFN/c16-13-5-3-4-11(9-13)8-12(10-18)14-6-1-2-7-15(14)17/h1-7,9,12H,8,10,18H2
InChIKeyABPSVQPZORRWCJ-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-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 79448882
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930
2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112539065
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 112538959
2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63531253
1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66052300
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
[1-(2-bromo-3-fluorophenyl)-3-(3-bromophenyl)propan-2-yl]hydrazine
CID 105202695
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine (CID 79448953) is 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine is NCC(Cc1cccc(Br)c1)c1ccccc1F.
What is the InChIKey of 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine?
The InChIKey is ABPSVQPZORRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c16-13-5-3-4-11(9-13)8-12(10-18)14-6-1-2-7-15(14)17/h1-7,9,12H,8,10,18H2.
What are the key properties of 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine?
3-(3-bromophenyl)-2-(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 3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79448953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).