1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine

C16H17BrFN — CID 61064541

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c1-11-3-5-12(6-4-11)9-16(19-2)14-8-7-13(17)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyABTISHWVVDIJFR-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 61064541) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID61064541
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c1-11-3-5-12(6-4-11)9-16(19-2)14-8-7-13(17)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyABTISHWVVDIJFR-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 114906381
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
[1-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105280879
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 61064541) is 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is ABTISHWVVDIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-3-5-12(6-4-11)9-16(19-2)14-8-7-13(17)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 61064541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).