2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline

C16H16N2O2 — CID 606953

IUPAC2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline
SMILESNc1ccccc1/C=N/c1ccccc1C1OCCO1
InChIInChI=1S/C16H16N2O2/c17-14-7-3-1-5-12(14)11-18-15-8-4-2-6-13(15)16-19-9-10-20-16/h1-8,11,16H,9-10,17H2/b18-11+
InChIKeyAIMFQYYCTHGMFT-WOJGMQOQSA-N
MW268.32 g/mol
LogP3.06
Rot. Bonds3

About 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline

2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline (PubChem CID 606953) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline.

Molecular Properties

Compound Name2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline
PubChem CID606953
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline
SMILESNc1ccccc1/C=N/c1ccccc1C1OCCO1
InChIInChI=1S/C16H16N2O2/c17-14-7-3-1-5-12(14)11-18-15-8-4-2-6-13(15)16-19-9-10-20-16/h1-8,11,16H,9-10,17H2/b18-11+
InChIKeyAIMFQYYCTHGMFT-WOJGMQOQSA-N
XLogP3.06
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline?
The IUPAC name of 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline (CID 606953) is 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline.
What is the SMILES notation for 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline?
The canonical SMILES for 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline is Nc1ccccc1/C=N/c1ccccc1C1OCCO1.
What is the InChIKey of 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline?
The InChIKey is AIMFQYYCTHGMFT-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-14-7-3-1-5-12(14)11-18-15-8-4-2-6-13(15)16-19-9-10-20-16/h1-8,11,16H,9-10,17H2/b18-11+.
What are the key properties of 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline?
2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline has a molecular weight of 268.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxolan-2-yl)phenyl]iminomethyl]aniline is sourced from PubChem (CID 606953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).