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

C16H17BrFN — CID 115827865

IUPACN-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1C)c1ccccc1F
InChIInChI=1S/C16H17BrFN/c1-3-19-16(13-6-4-5-7-15(13)18)14-10-12(17)9-8-11(14)2/h4-10,16,19H,3H2,1-2H3
InChIKeyPNQCLUPFJVSKJV-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.60
Rot. Bonds4

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

N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine (PubChem CID 115827865) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
PubChem CID115827865
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1C)c1ccccc1F
InChIInChI=1S/C16H17BrFN/c1-3-19-16(13-6-4-5-7-15(13)18)14-10-12(17)9-8-11(14)2/h4-10,16,19H,3H2,1-2H3
InChIKeyPNQCLUPFJVSKJV-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
N-[(2,5-dibromo-4-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 81472787
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(5-bromo-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]ethanamine
CID 105011782
N-[(5-bromo-2-chlorophenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115828061
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(5-bromo-2-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 81049108
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine (CID 115827865) is N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1C)c1ccccc1F.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine?
The InChIKey is PNQCLUPFJVSKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-3-19-16(13-6-4-5-7-15(13)18)14-10-12(17)9-8-11(14)2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine?
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115827865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).