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

C16H16BrF2N — CID 107984776

IUPAC1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrF2N/c1-10-4-3-5-13(16(10)17)15(20-2)9-11-8-12(18)6-7-14(11)19/h3-8,15,20H,9H2,1-2H3
InChIKeyPBRPFHHNFDDWJY-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.54
Rot. Bonds4

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

1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 107984776) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID107984776
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrF2N/c1-10-4-3-5-13(16(10)17)15(20-2)9-11-8-12(18)6-7-14(11)19/h3-8,15,20H,9H2,1-2H3
InChIKeyPBRPFHHNFDDWJY-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-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
1-(2-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809397
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 106273943
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 107981875
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (CID 107984776) is 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is PBRPFHHNFDDWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10-4-3-5-13(16(10)17)15(20-2)9-11-8-12(18)6-7-14(11)19/h3-8,15,20H,9H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
1-(2-bromo-3-methylphenyl)-2-(2,5-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-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107984776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).