1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine

C16H18BrN — CID 54957738

IUPAC1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(C)c(CNCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN/c1-12-3-4-13(2)15(9-12)11-18-10-14-5-7-16(17)8-6-14/h3-9,18H,10-11H2,1-2H3
InChIKeyVKHFIXYHPUFMRJ-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine

1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine (PubChem CID 54957738) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
PubChem CID54957738
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(C)c(CNCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN/c1-12-3-4-13(2)15(9-12)11-18-10-14-5-7-16(17)8-6-14/h3-9,18H,10-11H2,1-2H3
InChIKeyVKHFIXYHPUFMRJ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine (CID 54957738) is 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine is Cc1ccc(C)c(CNCc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
The InChIKey is VKHFIXYHPUFMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-3-4-13(2)15(9-12)11-18-10-14-5-7-16(17)8-6-14/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine has a molecular weight of 304.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 54957738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).