2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine

C11H13NO2 — CID 123926803

IUPAC2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine
SMILES[H]/N=C/Cc1ccc(C2OCCO2)cc1
InChIInChI=1S/C11H13NO2/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4,6,11-12H,5,7-8H2/b12-6+
InChIKeyKMYIPSHWAKGKBX-WUXMJOGZSA-N
MW191.23 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine

2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine (PubChem CID 123926803) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine
PubChem CID123926803
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine
SMILES[H]/N=C/Cc1ccc(C2OCCO2)cc1
InChIInChI=1S/C11H13NO2/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4,6,11-12H,5,7-8H2/b12-6+
InChIKeyKMYIPSHWAKGKBX-WUXMJOGZSA-N
XLogP1.92
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
CID 54217191
2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane
CID 67980476
4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline
CID 86258852
tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane
CID 45158487
2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
CID 45117158
[4-(1,3-dioxolan-2-yl)phenyl]methyl nitrate
CID 10977136
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
CID 170873890
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium
CID 71377578
2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980841
2-[4-(dibromomethyl)phenyl]-1,3-dioxolane
CID 139917470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine?
The IUPAC name of 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine (CID 123926803) is 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine is [H]/N=C/Cc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine?
The InChIKey is KMYIPSHWAKGKBX-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H13NO2/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4,6,11-12H,5,7-8H2/b12-6+.
What are the key properties of 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine?
2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine has a molecular weight of 191.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanimine is sourced from PubChem (CID 123926803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).