1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine

C15H14BrClFN — CID 82964641

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFN/c1-10(14-8-12(16)5-6-15(14)18)19-9-11-3-2-4-13(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyBFYBWYCJVMYBGN-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.09
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine

1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine (PubChem CID 82964641) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
PubChem CID82964641
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFN/c1-10(14-8-12(16)5-6-15(14)18)19-9-11-3-2-4-13(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyBFYBWYCJVMYBGN-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82774626
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 82964592
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine (CID 82964641) is 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine is CC(NCc1cccc(Cl)c1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The InChIKey is BFYBWYCJVMYBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-10(14-8-12(16)5-6-15(14)18)19-9-11-3-2-4-13(17)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine has a molecular weight of 342.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 82964641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).