3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine

C15H14BrF2N — CID 79441426

IUPAC3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14BrF2N/c16-14-8-10(1-6-15(14)18)7-12(9-19)11-2-4-13(17)5-3-11/h1-6,8,12H,7,9,19H2
InChIKeyPSJDDNIQJKRATN-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.01
Rot. Bonds4

About 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine

3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine (PubChem CID 79441426) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
PubChem CID79441426
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14BrF2N/c16-14-8-10(1-6-15(14)18)7-12(9-19)11-2-4-13(17)5-3-11/h1-6,8,12H,7,9,19H2
InChIKeyPSJDDNIQJKRATN-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine
CID 62505363
3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
N-[2-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414506
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine (CID 79441426) is 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccc(F)c(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is PSJDDNIQJKRATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c16-14-8-10(1-6-15(14)18)7-12(9-19)11-2-4-13(17)5-3-11/h1-6,8,12H,7,9,19H2.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 326.18 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79441426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).