4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline

C15H15Br2N — CID 107572070

IUPAC4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2ccc(Br)cc2)cc(C)c1Br
InChIInChI=1S/C15H15Br2N/c1-10-7-14(8-11(2)15(10)17)18-9-12-3-5-13(16)6-4-12/h3-8,18H,9H2,1-2H3
InChIKeyLLDRQTHRTQORKY-UHFFFAOYSA-N
MW369.10 g/mol
LogP5.44
Rot. Bonds3

About 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline

4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline (PubChem CID 107572070) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
PubChem CID107572070
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Name4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2ccc(Br)cc2)cc(C)c1Br
InChIInChI=1S/C15H15Br2N/c1-10-7-14(8-11(2)15(10)17)18-9-12-3-5-13(16)6-4-12/h3-8,18H,9H2,1-2H3
InChIKeyLLDRQTHRTQORKY-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.10
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-bromo-3,5-dimethylaniline
CID 107572244
4-bromo-3,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107571843
4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
CID 107571721
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125185
5-[(4-bromo-3,5-dimethylanilino)methyl]furan-2-carboxylic acid
CID 107572270
4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
CID 107571841
4-bromo-3,5-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 107571686
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065
5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline (CID 107572070) is 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline is Cc1cc(NCc2ccc(Br)cc2)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline?
The InChIKey is LLDRQTHRTQORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-10-7-14(8-11(2)15(10)17)18-9-12-3-5-13(16)6-4-12/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline?
4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline has a molecular weight of 369.10 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 107572070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).