4,5-dichloro-2-ethoxy-N-methylaniline

C9H11Cl2NO — CID 82553897

IUPAC4,5-dichloro-2-ethoxy-N-methylaniline
SMILESCCOc1cc(Cl)c(Cl)cc1NC
InChIInChI=1S/C9H11Cl2NO/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5,12H,3H2,1-2H3
InChIKeyQUZHIXHYTGSOKS-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.43
Rot. Bonds3

About 4,5-dichloro-2-ethoxy-N-methylaniline

4,5-dichloro-2-ethoxy-N-methylaniline (PubChem CID 82553897) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 4,5-dichloro-2-ethoxy-N-methylaniline.

Molecular Properties

Compound Name4,5-dichloro-2-ethoxy-N-methylaniline
PubChem CID82553897
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name4,5-dichloro-2-ethoxy-N-methylaniline
SMILESCCOc1cc(Cl)c(Cl)cc1NC
InChIInChI=1S/C9H11Cl2NO/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5,12H,3H2,1-2H3
InChIKeyQUZHIXHYTGSOKS-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

2-ethoxy-5-fluoro-N-methylaniline
CID 82268266
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
3,5-diethoxy-N,2,4-trimethylaniline
CID 163819596
N-[2-chloro-5-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513232
N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 173220801
1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 63507198
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
CID 82553894
2-(3-chloro-4-fluorophenyl)-7-ethoxy-6-N-methylquinazoline-4,6-diamine
CID 126688865

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-ethoxy-N-methylaniline?
The IUPAC name of 4,5-dichloro-2-ethoxy-N-methylaniline (CID 82553897) is 4,5-dichloro-2-ethoxy-N-methylaniline.
What is the SMILES notation for 4,5-dichloro-2-ethoxy-N-methylaniline?
The canonical SMILES for 4,5-dichloro-2-ethoxy-N-methylaniline is CCOc1cc(Cl)c(Cl)cc1NC.
What is the InChIKey of 4,5-dichloro-2-ethoxy-N-methylaniline?
The InChIKey is QUZHIXHYTGSOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5,12H,3H2,1-2H3.
What are the key properties of 4,5-dichloro-2-ethoxy-N-methylaniline?
4,5-dichloro-2-ethoxy-N-methylaniline 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 4,5-dichloro-2-ethoxy-N-methylaniline is sourced from PubChem (CID 82553897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).