2-methoxy-N,3,4,5,6-pentamethylaniline

C12H19NO — CID 21339609

IUPAC2-methoxy-N,3,4,5,6-pentamethylaniline
SMILESCNc1c(C)c(C)c(C)c(C)c1OC
InChIInChI=1S/C12H19NO/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h13H,1-6H3
InChIKeyLKUBAGIFJJDHEP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.97
Rot. Bonds2

About 2-methoxy-N,3,4,5,6-pentamethylaniline

2-methoxy-N,3,4,5,6-pentamethylaniline (PubChem CID 21339609) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methoxy-N,3,4,5,6-pentamethylaniline.

Molecular Properties

Compound Name2-methoxy-N,3,4,5,6-pentamethylaniline
PubChem CID21339609
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methoxy-N,3,4,5,6-pentamethylaniline
SMILESCNc1c(C)c(C)c(C)c(C)c1OC
InChIInChI=1S/C12H19NO/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h13H,1-6H3
InChIKeyLKUBAGIFJJDHEP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3,4,5,6-pentamethylaniline?
The IUPAC name of 2-methoxy-N,3,4,5,6-pentamethylaniline (CID 21339609) is 2-methoxy-N,3,4,5,6-pentamethylaniline.
What is the SMILES notation for 2-methoxy-N,3,4,5,6-pentamethylaniline?
The canonical SMILES for 2-methoxy-N,3,4,5,6-pentamethylaniline is CNc1c(C)c(C)c(C)c(C)c1OC.
What is the InChIKey of 2-methoxy-N,3,4,5,6-pentamethylaniline?
The InChIKey is LKUBAGIFJJDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h13H,1-6H3.
What are the key properties of 2-methoxy-N,3,4,5,6-pentamethylaniline?
2-methoxy-N,3,4,5,6-pentamethylaniline has a molecular weight of 193.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3,4,5,6-pentamethylaniline is sourced from PubChem (CID 21339609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).