1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine

C15H14BrF2N — CID 103776784

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrF2N/c1-10(14-6-5-13(18)8-15(14)16)19-9-11-3-2-4-12(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyNGNLPRMBYXAXHB-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.58
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine

1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine (PubChem CID 103776784) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
PubChem CID103776784
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrF2N/c1-10(14-6-5-13(18)8-15(14)16)19-9-11-3-2-4-12(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyNGNLPRMBYXAXHB-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
2,6-dibromo-4-[[1-(2,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602836
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine (CID 103776784) is 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine is CC(NCc1cccc(F)c1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The InChIKey is NGNLPRMBYXAXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(14-6-5-13(18)8-15(14)16)19-9-11-3-2-4-12(17)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103776784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).