1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine

C19H24BrN — CID 65308185

IUPAC1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1cc(Br)ccc1C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H24BrN/c1-11-7-8-16(20)10-17(11)19(21-6)18-14(4)12(2)9-13(3)15(18)5/h7-10,19,21H,1-6H3
InChIKeyASOREIJSOBRPOT-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.30
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine

1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 65308185) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID65308185
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1cc(Br)ccc1C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H24BrN/c1-11-7-8-16(20)10-17(11)19(21-6)18-14(4)12(2)9-13(3)15(18)5/h7-10,19,21H,1-6H3
InChIKeyASOREIJSOBRPOT-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43484043
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969
1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine
CID 81045205
N-methyl-1-(2-methylfuran-3-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483972
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
4-[(5-bromo-2-methylphenyl)-(methylamino)methyl]benzoic acid
CID 116953935
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(5-bromo-2-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025179
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43482284
N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 65308141

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine (CID 65308185) is 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine is CNC(c1cc(Br)ccc1C)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is ASOREIJSOBRPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-11-7-8-16(20)10-17(11)19(21-6)18-14(4)12(2)9-13(3)15(18)5/h7-10,19,21H,1-6H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 346.31 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 65308185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).