1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

C15H15BrFN — CID 79704481

IUPAC1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C15H15BrFN/c1-10-7-12(9-14(17)8-10)15(18-2)11-3-5-13(16)6-4-11/h3-9,15,18H,1-2H3
InChIKeyOOBWRUFTVGISIL-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.21
Rot. Bonds3

About 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 79704481) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID79704481
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C15H15BrFN/c1-10-7-12(9-14(17)8-10)15(18-2)11-3-5-13(16)6-4-11/h3-9,15,18H,1-2H3
InChIKeyOOBWRUFTVGISIL-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591
1-(3-chloro-4-iodophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103215908
1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480138
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797356
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 106692700

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (CID 79704481) is 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is OOBWRUFTVGISIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-7-12(9-14(17)8-10)15(18-2)11-3-5-13(16)6-4-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 79704481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).