2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline

C15H15Br2NO — CID 43736803

IUPAC2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-10(11-3-6-13(19-2)7-4-11)18-15-9-12(16)5-8-14(15)17/h3-10,18H,1-2H3
InChIKeyDGVGBNQZCRQZIV-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.39
Rot. Bonds4

About 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline

2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline (PubChem CID 43736803) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
PubChem CID43736803
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-10(11-3-6-13(19-2)7-4-11)18-15-9-12(16)5-8-14(15)17/h3-10,18H,1-2H3
InChIKeyDGVGBNQZCRQZIV-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43736715
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2-bromo-5-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 82745570
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43683196
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline (CID 43736803) is 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is DGVGBNQZCRQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(11-3-6-13(19-2)7-4-11)18-15-9-12(16)5-8-14(15)17/h3-10,18H,1-2H3.
What are the key properties of 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline?
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 385.10 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43736803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).