[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate

C13H20N2O2 — CID 23645310

IUPAC[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCC(c1cccc(OC(=O)N(C)C)c1)N(C)C
InChIInChI=1S/C13H20N2O2/c1-10(14(2)3)11-7-6-8-12(9-11)17-13(16)15(4)5/h6-10H,1-5H3
InChIKeyAIHREYCBCYOMLZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.37
Rot. Bonds3

About [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate

[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate (PubChem CID 23645310) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
PubChem CID23645310
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCC(c1cccc(OC(=O)N(C)C)c1)N(C)C
InChIInChI=1S/C13H20N2O2/c1-10(14(2)3)11-7-6-8-12(9-11)17-13(16)15(4)5/h6-10H,1-5H3
InChIKeyAIHREYCBCYOMLZ-UHFFFAOYSA-N
XLogP2.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate (CID 23645310) is [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate is CC(c1cccc(OC(=O)N(C)C)c1)N(C)C.
What is the InChIKey of [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is AIHREYCBCYOMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14(2)3)11-7-6-8-12(9-11)17-13(16)15(4)5/h6-10H,1-5H3.
What are the key properties of [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 236.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 23645310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).