5-chloro-2-methoxy-N,3,6-trimethylaniline

C10H14ClNO — CID 82266696

IUPAC5-chloro-2-methoxy-N,3,6-trimethylaniline
SMILESCNc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C10H14ClNO/c1-6-5-8(11)7(2)9(12-3)10(6)13-4/h5,12H,1-4H3
InChIKeyPTJHRZUFOCOKCR-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.01
Rot. Bonds2

About 5-chloro-2-methoxy-N,3,6-trimethylaniline

5-chloro-2-methoxy-N,3,6-trimethylaniline (PubChem CID 82266696) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N,3,6-trimethylaniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N,3,6-trimethylaniline
PubChem CID82266696
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-chloro-2-methoxy-N,3,6-trimethylaniline
SMILESCNc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C10H14ClNO/c1-6-5-8(11)7(2)9(12-3)10(6)13-4/h5,12H,1-4H3
InChIKeyPTJHRZUFOCOKCR-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N,3,6-trimethylaniline?
The IUPAC name of 5-chloro-2-methoxy-N,3,6-trimethylaniline (CID 82266696) is 5-chloro-2-methoxy-N,3,6-trimethylaniline.
What is the SMILES notation for 5-chloro-2-methoxy-N,3,6-trimethylaniline?
The canonical SMILES for 5-chloro-2-methoxy-N,3,6-trimethylaniline is CNc1c(C)c(Cl)cc(C)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N,3,6-trimethylaniline?
The InChIKey is PTJHRZUFOCOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-5-8(11)7(2)9(12-3)10(6)13-4/h5,12H,1-4H3.
What are the key properties of 5-chloro-2-methoxy-N,3,6-trimethylaniline?
5-chloro-2-methoxy-N,3,6-trimethylaniline has a molecular weight of 199.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N,3,6-trimethylaniline is sourced from PubChem (CID 82266696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).