4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline

C11H15NO2 — CID 117275390

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline
SMILESCC1(C)OCC(c2ccc(N)cc2)O1
InChIInChI=1S/C11H15NO2/c1-11(2)13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,7,12H2,1-2H3
InChIKeyWNAURUDDIBAIAR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.09
Rot. Bonds1

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline

4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline (PubChem CID 117275390) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline
PubChem CID117275390
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline
SMILESCC1(C)OCC(c2ccc(N)cc2)O1
InChIInChI=1S/C11H15NO2/c1-11(2)13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,7,12H2,1-2H3
InChIKeyWNAURUDDIBAIAR-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline (CID 117275390) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline is CC1(C)OCC(c2ccc(N)cc2)O1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline?
The InChIKey is WNAURUDDIBAIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,7,12H2,1-2H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline has a molecular weight of 193.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline is sourced from PubChem (CID 117275390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).