5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline

C11H16ClNO — CID 82266697

IUPAC5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline
SMILESCCNc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C11H16ClNO/c1-5-13-10-8(3)9(12)6-7(2)11(10)14-4/h6,13H,5H2,1-4H3
InChIKeyCNOAWMDNVRLCHI-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.40
Rot. Bonds3

About 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline

5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline (PubChem CID 82266697) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline
PubChem CID82266697
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline
SMILESCCNc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C11H16ClNO/c1-5-13-10-8(3)9(12)6-7(2)11(10)14-4/h6,13H,5H2,1-4H3
InChIKeyCNOAWMDNVRLCHI-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline?
The IUPAC name of 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline (CID 82266697) is 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline?
The canonical SMILES for 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline is CCNc1c(C)c(Cl)cc(C)c1OC.
What is the InChIKey of 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline?
The InChIKey is CNOAWMDNVRLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-5-13-10-8(3)9(12)6-7(2)11(10)14-4/h6,13H,5H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline?
5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline has a molecular weight of 213.71 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline is sourced from PubChem (CID 82266697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).