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

C13H20N2O2 — CID 11097701

IUPAC[3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)CCc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-14(2)9-8-11-6-5-7-12(10-11)17-13(16)15(3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyWPSQKSZQTBMLDQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.85
Rot. Bonds4

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

[3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate (PubChem CID 11097701) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
PubChem CID11097701
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)CCc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-14(2)9-8-11-6-5-7-12(10-11)17-13(16)15(3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyWPSQKSZQTBMLDQ-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate (CID 11097701) is [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate is CN(C)CCc1cccc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is WPSQKSZQTBMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14(2)9-8-11-6-5-7-12(10-11)17-13(16)15(3)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate?
[3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 236.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 11097701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).