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

C15H15BrFN — CID 79442108

IUPAC3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c16-15-4-2-1-3-12(15)9-13(10-18)11-5-7-14(17)8-6-11/h1-8,13H,9-10,18H2
InChIKeyJXVKVICPHYUPOE-UHFFFAOYSA-N
MW308.19 g/mol
LogP3.87
Rot. Bonds4

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

3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine (PubChem CID 79442108) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
PubChem CID79442108
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c16-15-4-2-1-3-12(15)9-13(10-18)11-5-7-14(17)8-6-11/h1-8,13H,9-10,18H2
InChIKeyJXVKVICPHYUPOE-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-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 82160885
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79441426
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
CID 84729687
1-bromo-2-[3-bromo-2-(4-methylphenyl)propyl]benzene
CID 79436524
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine (CID 79442108) is 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is JXVKVICPHYUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c16-15-4-2-1-3-12(15)9-13(10-18)11-5-7-14(17)8-6-11/h1-8,13H,9-10,18H2.
What are the key properties of 3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine?
3-(2-bromophenyl)-2-(4-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-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79442108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).