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

C15H13Br2F2N — CID 82964766

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Br)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2F2N/c1-9(13-7-12(17)3-5-15(13)19)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,20H,8H2,1H3
InChIKeySLYIQLCMFSFMRH-UHFFFAOYSA-N
MW405.08 g/mol
LogP5.34
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine (PubChem CID 82964766) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
PubChem CID82964766
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Br)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2F2N/c1-9(13-7-12(17)3-5-15(13)19)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,20H,8H2,1H3
InChIKeySLYIQLCMFSFMRH-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.08
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
1-(5-bromo-2-fluorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 112668618
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82964641
1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine
CID 82962799
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 60781421

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine (CID 82964766) is 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine is CC(NCc1cc(Br)ccc1F)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
The InChIKey is SLYIQLCMFSFMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-9(13-7-12(17)3-5-15(13)19)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,20H,8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine has a molecular weight of 405.08 g/mol, XLogP of 5.34, 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-[(5-bromo-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 82964766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).