3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline

C15H15Br2NO — CID 63404203

IUPAC3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline
SMILESCCc1ccc(COc2c(Br)cc(N)cc2Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-2-10-3-5-11(6-4-10)9-19-15-13(16)7-12(18)8-14(15)17/h3-8H,2,9,18H2,1H3
InChIKeyGWRMBQXARWXJBW-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.94
Rot. Bonds4

About 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline

3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline (PubChem CID 63404203) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline.

Molecular Properties

Compound Name3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline
PubChem CID63404203
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline
SMILESCCc1ccc(COc2c(Br)cc(N)cc2Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-2-10-3-5-11(6-4-10)9-19-15-13(16)7-12(18)8-14(15)17/h3-8H,2,9,18H2,1H3
InChIKeyGWRMBQXARWXJBW-UHFFFAOYSA-N
XLogP4.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
3,5-dibromo-4-[(2,4,6-trimethylphenyl)methoxy]aniline
CID 63404158
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol
CID 132591522
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742064

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline?
The IUPAC name of 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline (CID 63404203) is 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline.
What is the SMILES notation for 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline?
The canonical SMILES for 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline is CCc1ccc(COc2c(Br)cc(N)cc2Br)cc1.
What is the InChIKey of 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline?
The InChIKey is GWRMBQXARWXJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-2-10-3-5-11(6-4-10)9-19-15-13(16)7-12(18)8-14(15)17/h3-8H,2,9,18H2,1H3.
What are the key properties of 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline?
3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline has a molecular weight of 385.10 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline is sourced from PubChem (CID 63404203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).