1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

C16H17BrFN — CID 115852683

IUPAC1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1cc(C)ccc1Br
InChIInChI=1S/C16H17BrFN/c1-10-4-6-14(17)12(8-10)16(19-3)13-9-11(2)5-7-15(13)18/h4-9,16,19H,1-3H3
InChIKeyTUYFGWLGIDPGHF-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.51
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 115852683) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID115852683
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1cc(C)ccc1Br
InChIInChI=1S/C16H17BrFN/c1-10-4-6-14(17)12(8-10)16(19-3)13-9-11(2)5-7-15(13)18/h4-9,16,19H,1-3H3
InChIKeyTUYFGWLGIDPGHF-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855163
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
1-(4-bromo-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906492
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537
1-(2-fluoro-5-methylphenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792082
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852601
1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113398514
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
N-[(2,5-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 63502138
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852895
1-(2,6-dimethyl-3-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143162

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (CID 115852683) is 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1F)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is TUYFGWLGIDPGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-4-6-14(17)12(8-10)16(19-3)13-9-11(2)5-7-15(13)18/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115852683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).