N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline

C16H17Br2NO — CID 60781271

IUPACN-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H17Br2NO/c1-3-20-16-7-5-4-6-15(16)19-11(2)13-9-8-12(17)10-14(13)18/h4-11,19H,3H2,1-2H3
InChIKeyDUFKKJUBZDMIDN-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.78
Rot. Bonds5

About N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline

N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline (PubChem CID 60781271) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
PubChem CID60781271
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H17Br2NO/c1-3-20-16-7-5-4-6-15(16)19-11(2)13-9-8-12(17)10-14(13)18/h4-11,19H,3H2,1-2H3
InChIKeyDUFKKJUBZDMIDN-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

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Related Compounds

4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
CID 65343297

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline (CID 60781271) is N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline is CCOc1ccccc1NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline?
The InChIKey is DUFKKJUBZDMIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-3-20-16-7-5-4-6-15(16)19-11(2)13-9-8-12(17)10-14(13)18/h4-11,19H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline?
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline 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 N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline is sourced from PubChem (CID 60781271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).