[3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate

C12H18N2O2 — CID 11010684

IUPAC[3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCNCCc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-13-8-7-10-5-4-6-11(9-10)16-12(15)14(2)3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyQGXVPFVJKVEMKS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.51
Rot. Bonds4

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

[3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate (PubChem CID 11010684) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
PubChem CID11010684
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCNCCc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-13-8-7-10-5-4-6-11(9-10)16-12(15)14(2)3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyQGXVPFVJKVEMKS-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate (CID 11010684) is [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate is CNCCc1cccc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is QGXVPFVJKVEMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-8-7-10-5-4-6-11(9-10)16-12(15)14(2)3/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
[3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 11010684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).