N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine

C15H16BrN — CID 53231145

IUPACN-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN/c1-17(11-13-5-3-2-4-6-13)12-14-7-9-15(16)10-8-14/h2-10H,11-12H2,1H3
InChIKeyWLJJUAITCXDCGG-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.08
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine

N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 53231145) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID53231145
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN/c1-17(11-13-5-3-2-4-6-13)12-14-7-9-15(16)10-8-14/h2-10H,11-12H2,1H3
InChIKeyWLJJUAITCXDCGG-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine (CID 53231145) is N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is WLJJUAITCXDCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-17(11-13-5-3-2-4-6-13)12-14-7-9-15(16)10-8-14/h2-10H,11-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine?
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 290.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 53231145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).