1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine

C15H14BrClFN — CID 107988832

IUPAC1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-4-2-3-5-14(10)18)12-7-6-11(17)9-13(12)16/h2-7,9,15,19H,8H2,1H3
InChIKeyDNEDJYAYVBWMRO-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

About 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine

1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 107988832) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID107988832
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-4-2-3-5-14(10)18)12-7-6-11(17)9-13(12)16/h2-7,9,15,19H,8H2,1H3
InChIKeyDNEDJYAYVBWMRO-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-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82772326
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302394
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 107988832) is 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is DNEDJYAYVBWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-15(8-10-4-2-3-5-14(10)18)12-7-6-11(17)9-13(12)16/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(2-bromo-4-chlorophenyl)-2-(2-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 1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107988832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).