2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine

C15H14BrClFN — CID 79703082

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-19-15(11-2-4-13(17)5-3-11)8-10-6-12(16)9-14(18)7-10/h2-7,9,15,19H,8H2,1H3
InChIKeyIDXLOCDBFWTLOR-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 79703082) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID79703082
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-19-15(11-2-4-13(17)5-3-11)8-10-6-12(16)9-14(18)7-10/h2-7,9,15,19H,8H2,1H3
InChIKeyIDXLOCDBFWTLOR-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

2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
2-(3-bromo-5-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105015525
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
CID 105015718
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine (CID 79703082) is 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is IDXLOCDBFWTLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-15(11-2-4-13(17)5-3-11)8-10-6-12(16)9-14(18)7-10/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-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-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 79703082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).