2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline

C16H17Br2NO — CID 107597432

IUPAC2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(C(C)Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-3-20-13-9-7-12(8-10-13)11(2)19-16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyAKEHWBRDZIBLDV-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.78
Rot. Bonds5

About 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline

2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline (PubChem CID 107597432) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
PubChem CID107597432
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(C(C)Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-3-20-13-9-7-12(8-10-13)11(2)19-16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyAKEHWBRDZIBLDV-UHFFFAOYSA-N
XLogP5.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-N-[1-(4-ethoxyphenyl)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

3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
3-bromo-2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 107630254
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
4-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-ethylaniline
CID 81287491
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79101416
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline?
The IUPAC name of 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline (CID 107597432) is 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline is CCOc1ccc(C(C)Nc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline?
The InChIKey is AKEHWBRDZIBLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-3-20-13-9-7-12(8-10-13)11(2)19-16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline?
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline has a molecular weight of 399.13 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 107597432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).