N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine

C16H16BrF2N — CID 115994361

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cc(Br)ccc1F)c1ccccc1F
InChIInChI=1S/C16H16BrF2N/c1-2-16(13-5-3-4-6-15(13)19)20-10-11-9-12(17)7-8-14(11)18/h3-9,16,20H,2,10H2,1H3
InChIKeyURYNKTMCEGUXAQ-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.97
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine (PubChem CID 115994361) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
PubChem CID115994361
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cc(Br)ccc1F)c1ccccc1F
InChIInChI=1S/C16H16BrF2N/c1-2-16(13-5-3-4-6-15(13)19)20-10-11-9-12(17)7-8-14(11)18/h3-9,16,20H,2,10H2,1H3
InChIKeyURYNKTMCEGUXAQ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
[2-(5-bromo-2-fluorophenyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216839
N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43221916
3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
CID 111449155
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500974
1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 60781421

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine (CID 115994361) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine is CCC(NCc1cc(Br)ccc1F)c1ccccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is URYNKTMCEGUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-16(13-5-3-4-6-15(13)19)20-10-11-9-12(17)7-8-14(11)18/h3-9,16,20H,2,10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 115994361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).