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

C16H17BrFN — CID 55095249

IUPAC2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ccc(C)cc1
InChIInChI=1S/C16H17BrFN/c1-11-3-5-12(6-4-11)16(19-2)9-13-7-8-14(17)10-15(13)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyDDIVBCWTIQGSIU-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.40
Rot. Bonds4

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

2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 55095249) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID55095249
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ccc(C)cc1
InChIInChI=1S/C16H17BrFN/c1-11-3-5-12(6-4-11)16(19-2)9-13-7-8-14(17)10-15(13)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyDDIVBCWTIQGSIU-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

2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
CID 79436533
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 115844430
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115844772

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine (CID 55095249) is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine is CNC(Cc1ccc(Br)cc1F)c1ccc(C)cc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is DDIVBCWTIQGSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-3-5-12(6-4-11)16(19-2)9-13-7-8-14(17)10-15(13)18/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(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 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 55095249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).