4-bromo-N-ethyl-2,5-dimethoxyaniline

C10H14BrNO2 — CID 21117288

IUPAC4-bromo-N-ethyl-2,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(Br)cc1OC
InChIInChI=1S/C10H14BrNO2/c1-4-12-8-6-9(13-2)7(11)5-10(8)14-3/h5-6,12H,4H2,1-3H3
InChIKeyDOEIGPBWDHKZMR-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.90
Rot. Bonds4

About 4-bromo-N-ethyl-2,5-dimethoxyaniline

4-bromo-N-ethyl-2,5-dimethoxyaniline (PubChem CID 21117288) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-2,5-dimethoxyaniline
PubChem CID21117288
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-bromo-N-ethyl-2,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(Br)cc1OC
InChIInChI=1S/C10H14BrNO2/c1-4-12-8-6-9(13-2)7(11)5-10(8)14-3/h5-6,12H,4H2,1-3H3
InChIKeyDOEIGPBWDHKZMR-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103417125
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
2,4-dibromo-N-hexyl-5-methoxyaniline
CID 103411588
2-bromo-N-ethyl-4-methoxyaniline
CID 130675906
2,4-dibromo-5-methoxy-N-pentan-3-ylaniline
CID 103411897
1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
CID 103412756
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
CID 103413053
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
CID 103411364
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 105056823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2,5-dimethoxyaniline?
The IUPAC name of 4-bromo-N-ethyl-2,5-dimethoxyaniline (CID 21117288) is 4-bromo-N-ethyl-2,5-dimethoxyaniline.
What is the SMILES notation for 4-bromo-N-ethyl-2,5-dimethoxyaniline?
The canonical SMILES for 4-bromo-N-ethyl-2,5-dimethoxyaniline is CCNc1cc(OC)c(Br)cc1OC.
What is the InChIKey of 4-bromo-N-ethyl-2,5-dimethoxyaniline?
The InChIKey is DOEIGPBWDHKZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-4-12-8-6-9(13-2)7(11)5-10(8)14-3/h5-6,12H,4H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-2,5-dimethoxyaniline?
4-bromo-N-ethyl-2,5-dimethoxyaniline has a molecular weight of 260.13 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2,5-dimethoxyaniline is sourced from PubChem (CID 21117288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).