1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine

C16H17BrFN — CID 64681971

IUPAC1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
SMILESCCc1ccccc1CNCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c1-2-12-5-3-4-6-13(12)10-19-11-14-7-8-15(17)9-16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyFYNQQMJMCWPCKB-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.44
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine

1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine (PubChem CID 64681971) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
PubChem CID64681971
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
SMILESCCc1ccccc1CNCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c1-2-12-5-3-4-6-13(12)10-19-11-14-7-8-15(17)9-16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyFYNQQMJMCWPCKB-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
N-[(4-bromo-2-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910576
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448170
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-(4-bromo-2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962307
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 114164302
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54904757
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 103792327
1-(4-bromo-2-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 55081450
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733054

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine (CID 64681971) is 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine is CCc1ccccc1CNCc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine?
The InChIKey is FYNQQMJMCWPCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-2-12-5-3-4-6-13(12)10-19-11-14-7-8-15(17)9-16(14)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine?
1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine has a molecular weight of 322.22 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine is sourced from PubChem (CID 64681971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).