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

C15H14BrClFN — CID 63527917

IUPAC1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-2-5-12(17)6-3-10)11-4-7-13(16)14(18)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyUGQFSDPDVOUABE-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

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

1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine (PubChem CID 63527917) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
PubChem CID63527917
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-2-5-12(17)6-3-10)11-4-7-13(16)14(18)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyUGQFSDPDVOUABE-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-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
1-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864881
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
[1-(4-bromo-3-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044284
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine (CID 63527917) is 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is UGQFSDPDVOUABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-15(8-10-2-5-12(17)6-3-10)11-4-7-13(16)14(18)9-11/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
1-(4-bromo-3-fluorophenyl)-2-(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 1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63527917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).