1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine

C17H19BrFN — CID 81472374

IUPAC1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-10-5-6-13(9-15(10)18)17(20-4)14-7-11(2)16(19)12(3)8-14/h5-9,17,20H,1-4H3
InChIKeyIFHWWARDBOAWNA-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine

1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 81472374) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID81472374
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-10-5-6-13(9-15(10)18)17(20-4)14-7-11(2)16(19)12(3)8-14/h5-9,17,20H,1-4H3
InChIKeyIFHWWARDBOAWNA-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-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-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998784
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480138
1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482181
1-(5-bromothiophen-3-yl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107961080
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299004

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (CID 81472374) is 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(F)c(C)c1)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is IFHWWARDBOAWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-10-5-6-13(9-15(10)18)17(20-4)14-7-11(2)16(19)12(3)8-14/h5-9,17,20H,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81472374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).