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

C15H14BrClFN — CID 43242843

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(NCc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14BrClFN/c1-10(11-3-2-4-14(17)7-11)19-9-12-5-6-13(16)8-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyUSXDTELHVLVEQH-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.09
Rot. Bonds4

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

N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 43242843) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
PubChem CID43242843
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(NCc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14BrClFN/c1-10(11-3-2-4-14(17)7-11)19-9-12-5-6-13(16)8-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyUSXDTELHVLVEQH-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine (CID 43242843) is N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine is CC(NCc1ccc(Br)cc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is USXDTELHVLVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-10(11-3-2-4-14(17)7-11)19-9-12-5-6-13(16)8-15(12)18/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)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 N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 43242843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).