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

C15H14BrClFN — CID 106645338

IUPAC1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrClFN/c1-19-14(9-10-5-7-11(17)8-6-10)12-3-2-4-13(16)15(12)18/h2-8,14,19H,9H2,1H3
InChIKeyOPFHSFLCHPVONI-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

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

1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine (PubChem CID 106645338) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
PubChem CID106645338
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrClFN/c1-19-14(9-10-5-7-11(17)8-6-10)12-3-2-4-13(16)15(12)18/h2-8,14,19H,9H2,1H3
InChIKeyOPFHSFLCHPVONI-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-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774
2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118
1-(3-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 107952546
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 106645345
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine (CID 106645338) is 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is OPFHSFLCHPVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-14(9-10-5-7-11(17)8-6-10)12-3-2-4-13(16)15(12)18/h2-8,14,19H,9H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
1-(3-bromo-2-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-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 106645338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).