3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline

C15H14Br3N — CID 107582202

IUPAC3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
SMILESCc1cc(Br)cc(NC(C)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H14Br3N/c1-9-5-12(17)7-13(6-9)19-10(2)14-4-3-11(16)8-15(14)18/h3-8,10,19H,1-2H3
InChIKeyHVPIWVLNKZGMMD-UHFFFAOYSA-N
MW448.00 g/mol
LogP6.46
Rot. Bonds3

About 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline

3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline (PubChem CID 107582202) has the molecular formula C15H14Br3N and a molecular weight of 448.00 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
PubChem CID107582202
Molecular FormulaC15H14Br3N
Molecular Weight448.00 g/mol
Exact Mass444.87
IUPAC Name3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
SMILESCc1cc(Br)cc(NC(C)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H14Br3N/c1-9-5-12(17)7-13(6-9)19-10(2)14-4-3-11(16)8-15(14)18/h3-8,10,19H,1-2H3
InChIKeyHVPIWVLNKZGMMD-UHFFFAOYSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.00
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 107582351
4-[1-(2,4-dibromophenyl)ethylamino]benzoic acid
CID 60781692
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
3-bromo-N-[1-(4-tert-butylphenyl)ethyl]-5-methylaniline
CID 107582349
N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
CID 60781763
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline (CID 107582202) is 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline is Cc1cc(Br)cc(NC(C)c2ccc(Br)cc2Br)c1.
What is the InChIKey of 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline?
The InChIKey is HVPIWVLNKZGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3N/c1-9-5-12(17)7-13(6-9)19-10(2)14-4-3-11(16)8-15(14)18/h3-8,10,19H,1-2H3.
What are the key properties of 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline?
3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline has a molecular weight of 448.00 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 107582202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).