1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

C16H16BrF2N — CID 105412712

IUPAC1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cc(Br)ccc1C
InChIInChI=1S/C16H16BrF2N/c1-10-3-4-12(17)8-15(10)16(20-2)7-11-5-13(18)9-14(19)6-11/h3-6,8-9,16,20H,7H2,1-2H3
InChIKeyNEAMZWPLLXFHLT-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.54
Rot. Bonds4

About 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (PubChem CID 105412712) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
PubChem CID105412712
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cc(Br)ccc1C
InChIInChI=1S/C16H16BrF2N/c1-10-3-4-12(17)8-15(10)16(20-2)7-11-5-13(18)9-14(19)6-11/h3-6,8-9,16,20H,7H2,1-2H3
InChIKeyNEAMZWPLLXFHLT-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892554
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 115839478
N-[1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 65306968
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130
1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950521

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (CID 105412712) is 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The InChIKey is NEAMZWPLLXFHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10-3-4-12(17)8-15(10)16(20-2)7-11-5-13(18)9-14(19)6-11/h3-6,8-9,16,20H,7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105412712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).