[3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate

C11H16N2O2 — CID 25221

IUPAC[3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(NC)c(C)c1
InChIInChI=1S/C11H16N2O2/c1-7-5-9(15-11(14)13-4)6-8(2)10(7)12-3/h5-6,12H,1-4H3,(H,13,14)
InChIKeyIDDUHPDQEBAKFA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.06
Rot. Bonds2

About [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate

[3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate (PubChem CID 25221) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate
PubChem CID25221
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(NC)c(C)c1
InChIInChI=1S/C11H16N2O2/c1-7-5-9(15-11(14)13-4)6-8(2)10(7)12-3/h5-6,12H,1-4H3,(H,13,14)
InChIKeyIDDUHPDQEBAKFA-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate?
The IUPAC name of [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate (CID 25221) is [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate.
What is the SMILES notation for [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate?
The canonical SMILES for [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate is CNC(=O)Oc1cc(C)c(NC)c(C)c1.
What is the InChIKey of [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate?
The InChIKey is IDDUHPDQEBAKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-9(15-11(14)13-4)6-8(2)10(7)12-3/h5-6,12H,1-4H3,(H,13,14).
What are the key properties of [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate?
[3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate is sourced from PubChem (CID 25221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).