N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine

C16H17BrFN — CID 115556557

IUPACN-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2F)c(Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-7-8-13(15(17)9-11)10-19-12(2)14-5-3-4-6-16(14)18/h3-9,12,19H,10H2,1-2H3
InChIKeyYCVYRILHWIYSOF-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.75
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine

N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 115556557) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID115556557
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2F)c(Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-7-8-13(15(17)9-11)10-19-12(2)14-5-3-4-6-16(14)18/h3-9,12,19H,10H2,1-2H3
InChIKeyYCVYRILHWIYSOF-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60658981
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 62083622
4-[[1-(2-fluorophenyl)ethylamino]methyl]-7-methylchromen-2-one
CID 18086114
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375118
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 115556557) is N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine is Cc1ccc(CNC(C)c2ccccc2F)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is YCVYRILHWIYSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-7-8-13(15(17)9-11)10-19-12(2)14-5-3-4-6-16(14)18/h3-9,12,19H,10H2,1-2H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 115556557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).