N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine

C16H16BrF2N — CID 115851922

IUPACN-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)c1cc(F)ccc1Br
InChIInChI=1S/C16H16BrF2N/c1-3-20-16(13-8-11(18)5-4-10(13)2)14-9-12(19)6-7-15(14)17/h4-9,16,20H,3H2,1-2H3
InChIKeyOATUCUOVYQYOON-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.73
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine

N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 115851922) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID115851922
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)c1cc(F)ccc1Br
InChIInChI=1S/C16H16BrF2N/c1-3-20-16(13-8-11(18)5-4-10(13)2)14-9-12(19)6-7-15(14)17/h4-9,16,20H,3H2,1-2H3
InChIKeyOATUCUOVYQYOON-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 81472919
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(2-bromo-4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107992961
N-[(2-bromo-5-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107562122
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855214
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4,5-difluorophenyl)methyl]ethanamine
CID 107476519
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453376
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine (CID 115851922) is N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1C)c1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is OATUCUOVYQYOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-3-20-16(13-8-11(18)5-4-10(13)2)14-9-12(19)6-7-15(14)17/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine?
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).