[4-(dimethylamino)phenyl] formate

C9H11NO2 — CID 54158989

IUPAC[4-(dimethylamino)phenyl] formate
SMILESCN(C)c1ccc(OC=O)cc1
InChIInChI=1S/C9H11NO2/c1-10(2)8-3-5-9(6-4-8)12-7-11/h3-7H,1-2H3
InChIKeyFWAVAZOCYUQERI-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.29
Rot. Bonds3

About [4-(dimethylamino)phenyl] formate

[4-(dimethylamino)phenyl] formate (PubChem CID 54158989) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl] formate.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl] formate
PubChem CID54158989
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name[4-(dimethylamino)phenyl] formate
SMILESCN(C)c1ccc(OC=O)cc1
InChIInChI=1S/C9H11NO2/c1-10(2)8-3-5-9(6-4-8)12-7-11/h3-7H,1-2H3
InChIKeyFWAVAZOCYUQERI-UHFFFAOYSA-N
XLogP1.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl] formate?
The IUPAC name of [4-(dimethylamino)phenyl] formate (CID 54158989) is [4-(dimethylamino)phenyl] formate.
What is the SMILES notation for [4-(dimethylamino)phenyl] formate?
The canonical SMILES for [4-(dimethylamino)phenyl] formate is CN(C)c1ccc(OC=O)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl] formate?
The InChIKey is FWAVAZOCYUQERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10(2)8-3-5-9(6-4-8)12-7-11/h3-7H,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl] formate?
[4-(dimethylamino)phenyl] formate has a molecular weight of 165.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl] formate is sourced from PubChem (CID 54158989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).