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

C15H15BrFN — CID 43178810

IUPAC1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFN/c1-11(12-6-8-14(16)9-7-12)18-10-13-4-2-3-5-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyOFGASFLTVFNLEU-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.44
Rot. Bonds4

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

1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine (PubChem CID 43178810) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
PubChem CID43178810
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFN/c1-11(12-6-8-14(16)9-7-12)18-10-13-4-2-3-5-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyOFGASFLTVFNLEU-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine (CID 43178810) is 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine is CC(NCc1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The InChIKey is OFGASFLTVFNLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11(12-6-8-14(16)9-7-12)18-10-13-4-2-3-5-15(13)17/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43178810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).