2-(1,3-dioxolan-2-yl)-4-methoxyaniline

C10H13NO3 — CID 15338908

IUPAC2-(1,3-dioxolan-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(C2OCCO2)c1
InChIInChI=1S/C10H13NO3/c1-12-7-2-3-9(11)8(6-7)10-13-4-5-14-10/h2-3,6,10H,4-5,11H2,1H3
InChIKeyNYAIQVOYPPYQIG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.32
Rot. Bonds2

About 2-(1,3-dioxolan-2-yl)-4-methoxyaniline

2-(1,3-dioxolan-2-yl)-4-methoxyaniline (PubChem CID 15338908) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-4-methoxyaniline
PubChem CID15338908
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(1,3-dioxolan-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(C2OCCO2)c1
InChIInChI=1S/C10H13NO3/c1-12-7-2-3-9(11)8(6-7)10-13-4-5-14-10/h2-3,6,10H,4-5,11H2,1H3
InChIKeyNYAIQVOYPPYQIG-UHFFFAOYSA-N
XLogP1.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-4-methoxyaniline?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-4-methoxyaniline (CID 15338908) is 2-(1,3-dioxolan-2-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-4-methoxyaniline?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-4-methoxyaniline is COc1ccc(N)c(C2OCCO2)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-4-methoxyaniline?
The InChIKey is NYAIQVOYPPYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-12-7-2-3-9(11)8(6-7)10-13-4-5-14-10/h2-3,6,10H,4-5,11H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-4-methoxyaniline?
2-(1,3-dioxolan-2-yl)-4-methoxyaniline has a molecular weight of 195.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-4-methoxyaniline is sourced from PubChem (CID 15338908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).