1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine

C19H24BrN — CID 115482181

IUPAC1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(C)c(Br)c2)cc1CC
InChIInChI=1S/C19H24BrN/c1-5-14-9-10-16(11-15(14)6-2)19(21-4)17-8-7-13(3)18(20)12-17/h7-12,19,21H,5-6H2,1-4H3
InChIKeyLPENFLWDXUSGIY-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.19
Rot. Bonds5

About 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine

1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine (PubChem CID 115482181) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
PubChem CID115482181
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(C)c(Br)c2)cc1CC
InChIInChI=1S/C19H24BrN/c1-5-14-9-10-16(11-15(14)6-2)19(21-4)17-8-7-13(3)18(20)12-17/h7-12,19,21H,5-6H2,1-4H3
InChIKeyLPENFLWDXUSGIY-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 115482248
1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482156
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81472374
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
1-(3,4-diethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115482234
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807987
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
1-(3-bromo-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 81472448
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine (CID 115482181) is 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccc(C)c(Br)c2)cc1CC.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
The InChIKey is LPENFLWDXUSGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-14-9-10-16(11-15(14)6-2)19(21-4)17-8-7-13(3)18(20)12-17/h7-12,19,21H,5-6H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.19, 5 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-(3,4-diethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115482181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).