4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline

C16H17Br2NO — CID 81291722

IUPAC4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C16H17Br2NO/c1-3-11-8-13(17)4-6-15(11)19-10-12-9-14(18)5-7-16(12)20-2/h4-9,19H,3,10H2,1-2H3
InChIKeyVPOQGAJNOOTWKK-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.39
Rot. Bonds5

About 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline

4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline (PubChem CID 81291722) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
PubChem CID81291722
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C16H17Br2NO/c1-3-11-8-13(17)4-6-15(11)19-10-12-9-14(18)5-7-16(12)20-2/h4-9,19H,3,10H2,1-2H3
InChIKeyVPOQGAJNOOTWKK-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dichloroaniline
CID 107787860
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol
CID 81287311
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
3-N-[(5-bromo-2-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 11551527
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
4-bromo-1-N-[(3-ethyl-4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115125451
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
N-[(5-bromo-2-methoxyphenyl)methyl]-2-chloro-4-nitroaniline
CID 43686199

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline?
The IUPAC name of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline (CID 81291722) is 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline.
What is the SMILES notation for 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline?
The canonical SMILES for 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline is CCc1cc(Br)ccc1NCc1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline?
The InChIKey is VPOQGAJNOOTWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-3-11-8-13(17)4-6-15(11)19-10-12-9-14(18)5-7-16(12)20-2/h4-9,19H,3,10H2,1-2H3.
What are the key properties of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline?
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline has a molecular weight of 399.13 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 81291722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).