1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine

C19H24BrN — CID 115482156

IUPAC1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(Br)cc2C)cc1CC
InChIInChI=1S/C19H24BrN/c1-5-14-7-8-16(12-15(14)6-2)19(21-4)18-10-9-17(20)11-13(18)3/h7-12,19,21H,5-6H2,1-4H3
InChIKeyNKSKMBJQYDZMHM-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.19
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine

1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine (PubChem CID 115482156) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
PubChem CID115482156
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(Br)cc2C)cc1CC
InChIInChI=1S/C19H24BrN/c1-5-14-7-8-16(12-15(14)6-2)19(21-4)18-10-9-17(20)11-13(18)3/h7-12,19,21H,5-6H2,1-4H3
InChIKeyNKSKMBJQYDZMHM-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

Analyze 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-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-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 115482248
1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482181
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43629813
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807
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-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43629800
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
4-[bromo-(4-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319257
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine (CID 115482156) is 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccc(Br)cc2C)cc1CC.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
The InChIKey is NKSKMBJQYDZMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-14-7-8-16(12-15(14)6-2)19(21-4)18-10-9-17(20)11-13(18)3/h7-12,19,21H,5-6H2,1-4H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine?
1-(4-bromo-2-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-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115482156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).