1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine

C15H14BrClFN — CID 105397275

IUPAC1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-9-7-10(3-5-13(9)16)15(19-2)12-8-11(18)4-6-14(12)17/h3-8,15,19H,1-2H3
InChIKeyVZNRENJFGZESMB-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.86
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine (PubChem CID 105397275) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
PubChem CID105397275
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-9-7-10(3-5-13(9)16)15(19-2)12-8-11(18)4-6-14(12)17/h3-8,15,19H,1-2H3
InChIKeyVZNRENJFGZESMB-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(4-bromo-3-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398038
1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
N-[(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105397062
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998784
N-[(2-bromo-5-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107562122
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007
1-(4-bromo-3-chlorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877683
N-[(3-bromo-4-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395392
1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
CID 107476135
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(2,4-dibromophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 107945033

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine (CID 105397275) is 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(Br)c(C)c1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
The InChIKey is VZNRENJFGZESMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-7-10(3-5-13(9)16)15(19-2)12-8-11(18)4-6-14(12)17/h3-8,15,19H,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105397275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).