1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine

C19H24BrN — CID 81110681

IUPAC1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2cc(C)ccc2Br)cc1
InChIInChI=1S/C19H24BrN/c1-4-5-6-15-8-10-16(11-9-15)19(21-3)17-13-14(2)7-12-18(17)20/h7-13,19,21H,4-6H2,1-3H3
InChIKeyIYEHSJMTLIJOAK-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.41
Rot. Bonds6

About 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine

1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine (PubChem CID 81110681) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
PubChem CID81110681
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2cc(C)ccc2Br)cc1
InChIInChI=1S/C19H24BrN/c1-4-5-6-15-8-10-16(11-9-15)19(21-3)17-13-14(2)7-12-18(17)20/h7-13,19,21H,4-6H2,1-3H3
InChIKeyIYEHSJMTLIJOAK-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(4-butylphenyl)methanol
CID 81112230
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43629813
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine (CID 81110681) is 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine is CCCCc1ccc(C(NC)c2cc(C)ccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The InChIKey is IYEHSJMTLIJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-5-6-15-8-10-16(11-9-15)19(21-3)17-13-14(2)7-12-18(17)20/h7-13,19,21H,4-6H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81110681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).