2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine

C16H16BrF2N — CID 62529583

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrF2N/c17-16-9-15(19)6-3-13(16)8-12(10-20)7-11-1-4-14(18)5-2-11/h1-6,9,12H,7-8,10,20H2
InChIKeyYLRITKSXBYDPRS-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.09
Rot. Bonds5

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

2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine (PubChem CID 62529583) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
PubChem CID62529583
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrF2N/c17-16-9-15(19)6-3-13(16)8-12(10-20)7-11-1-4-14(18)5-2-11/h1-6,9,12H,7-8,10,20H2
InChIKeyYLRITKSXBYDPRS-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-4-fluorobenzene
CID 66035029
2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
CID 79447558
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65479163
2-bromo-1-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-4-fluorobenzene
CID 66041927
2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496159
1-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-2-chloro-4-fluorobenzene
CID 66042283
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine (CID 62529583) is 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is YLRITKSXBYDPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c17-16-9-15(19)6-3-13(16)8-12(10-20)7-11-1-4-14(18)5-2-11/h1-6,9,12H,7-8,10,20H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine?
2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62529583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).