3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine

C15H15BrFN — CID 43175857

IUPAC3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine
SMILESNC(CCc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrFN/c16-13-10-11(6-8-14(13)17)7-9-15(18)12-4-2-1-3-5-12/h1-6,8,10,15H,7,9,18H2
InChIKeyZYYRCVFVGARCQE-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.22
Rot. Bonds4

About 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine

3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine (PubChem CID 43175857) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine
PubChem CID43175857
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine
SMILESNC(CCc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrFN/c16-13-10-11(6-8-14(13)17)7-9-15(18)12-4-2-1-3-5-12/h1-6,8,10,15H,7,9,18H2
InChIKeyZYYRCVFVGARCQE-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine (CID 43175857) is 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine is NC(CCc1ccc(F)c(Br)c1)c1ccccc1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine?
The InChIKey is ZYYRCVFVGARCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c16-13-10-11(6-8-14(13)17)7-9-15(18)12-4-2-1-3-5-12/h1-6,8,10,15H,7,9,18H2.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine?
3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine has a molecular weight of 308.19 g/mol, XLogP of 4.22, 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)-1-phenylpropan-1-amine is sourced from PubChem (CID 43175857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).