2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine

C15H14BrClFN — CID 63420196

IUPAC2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-4-2-3-5-13(10)16)12-7-6-11(18)9-14(12)17/h2-7,9,15,19H,8H2,1H3
InChIKeyRUEGZSZKTWAEID-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

About 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine

2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine (PubChem CID 63420196) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
PubChem CID63420196
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-4-2-3-5-13(10)16)12-7-6-11(18)9-14(12)17/h2-7,9,15,19H,8H2,1H3
InChIKeyRUEGZSZKTWAEID-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115787187
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine (CID 63420196) is 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The InChIKey is RUEGZSZKTWAEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-15(8-10-4-2-3-5-13(10)16)12-7-6-11(18)9-14(12)17/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 63420196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).