[3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate

C11H16N2O2 — CID 11107589

IUPAC[3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(CCN)c1
InChIInChI=1S/C11H16N2O2/c1-13(2)11(14)15-10-5-3-4-9(8-10)6-7-12/h3-5,8H,6-7,12H2,1-2H3
InChIKeyLQVXOBJGBMHXPQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.25
Rot. Bonds3

About [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate

[3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate (PubChem CID 11107589) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate
PubChem CID11107589
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(CCN)c1
InChIInChI=1S/C11H16N2O2/c1-13(2)11(14)15-10-5-3-4-9(8-10)6-7-12/h3-5,8H,6-7,12H2,1-2H3
InChIKeyLQVXOBJGBMHXPQ-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate (CID 11107589) is [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc(CCN)c1.
What is the InChIKey of [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate?
The InChIKey is LQVXOBJGBMHXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)11(14)15-10-5-3-4-9(8-10)6-7-12/h3-5,8H,6-7,12H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate?
[3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 11107589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).