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

C16H16BrF2N — CID 79742526

IUPACN-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-10(2)20-9-12-7-11(3-5-15(12)18)14-8-13(17)4-6-16(14)19/h3-8,10,20H,9H2,1-2H3
InChIKeyRMMSOJDUMNOTAW-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.89
Rot. Bonds4

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

N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine (PubChem CID 79742526) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
PubChem CID79742526
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-10(2)20-9-12-7-11(3-5-15(12)18)14-8-13(17)4-6-16(14)19/h3-8,10,20H,9H2,1-2H3
InChIKeyRMMSOJDUMNOTAW-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(3-bromophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115503889
[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
CID 79743323
N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106879353
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
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
N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 55166973
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 62816209
N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 63019020
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine (CID 79742526) is N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1cc(-c2cc(Br)ccc2F)ccc1F.
What is the InChIKey of N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
The InChIKey is RMMSOJDUMNOTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10(2)20-9-12-7-11(3-5-15(12)18)14-8-13(17)4-6-16(14)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine has a molecular weight of 340.21 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 79742526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).