1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine

C15H15BrFN — CID 79742290

IUPAC1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFN/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9,18H2
InChIKeyRHGIHWXCGMVGLP-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.22
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine

1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine (PubChem CID 79742290) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
PubChem CID79742290
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFN/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9,18H2
InChIKeyRHGIHWXCGMVGLP-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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Related Compounds

1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
CID 114894528
1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
1-(4-bromo-2-methoxyphenyl)-3-phenylpropan-1-amine
CID 115794460
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine
CID 79742207

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine (CID 79742290) is 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine?
The InChIKey is RHGIHWXCGMVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9,18H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine?
1-(5-bromo-2-fluorophenyl)-3-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 1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 79742290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).