3,5-dichloro-N-ethyl-2-methoxyaniline

C9H11Cl2NO — CID 82267013

IUPAC3,5-dichloro-N-ethyl-2-methoxyaniline
SMILESCCNc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C9H11Cl2NO/c1-3-12-8-5-6(10)4-7(11)9(8)13-2/h4-5,12H,3H2,1-2H3
InChIKeyZBQJOCCESREWDW-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.43
Rot. Bonds3

About 3,5-dichloro-N-ethyl-2-methoxyaniline

3,5-dichloro-N-ethyl-2-methoxyaniline (PubChem CID 82267013) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-2-methoxyaniline.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-2-methoxyaniline
PubChem CID82267013
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3,5-dichloro-N-ethyl-2-methoxyaniline
SMILESCCNc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C9H11Cl2NO/c1-3-12-8-5-6(10)4-7(11)9(8)13-2/h4-5,12H,3H2,1-2H3
InChIKeyZBQJOCCESREWDW-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-methoxyanilino)methanol
CID 115228694
3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
CID 82552173
5-chloro-N-ethyl-2-methoxy-3-nitroaniline
CID 96709795
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
5-chloro-N-(chloromethyl)-2-methoxy-3-methylaniline
CID 115262707
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
3,5-dichloro-2-methoxyaniline
CID 11217747
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 171534963
2-(3,5-dichloro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82296172
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-2-methoxyaniline?
The IUPAC name of 3,5-dichloro-N-ethyl-2-methoxyaniline (CID 82267013) is 3,5-dichloro-N-ethyl-2-methoxyaniline.
What is the SMILES notation for 3,5-dichloro-N-ethyl-2-methoxyaniline?
The canonical SMILES for 3,5-dichloro-N-ethyl-2-methoxyaniline is CCNc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 3,5-dichloro-N-ethyl-2-methoxyaniline?
The InChIKey is ZBQJOCCESREWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-3-12-8-5-6(10)4-7(11)9(8)13-2/h4-5,12H,3H2,1-2H3.
What are the key properties of 3,5-dichloro-N-ethyl-2-methoxyaniline?
3,5-dichloro-N-ethyl-2-methoxyaniline has a molecular weight of 220.10 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-2-methoxyaniline is sourced from PubChem (CID 82267013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).