2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine

C13H19NO2 — CID 73059933

IUPAC2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine
SMILESCCC1(c2ccccc2)OCC(CCN)O1
InChIInChI=1S/C13H19NO2/c1-2-13(11-6-4-3-5-7-11)15-10-12(16-13)8-9-14/h3-7,12H,2,8-10,14H2,1H3
InChIKeyOTBOADKGPXWFHX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine

2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 73059933) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine
PubChem CID73059933
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine
SMILESCCC1(c2ccccc2)OCC(CCN)O1
InChIInChI=1S/C13H19NO2/c1-2-13(11-6-4-3-5-7-11)15-10-12(16-13)8-9-14/h3-7,12H,2,8-10,14H2,1H3
InChIKeyOTBOADKGPXWFHX-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Etoxadrol
CID 14208380
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
4-(Benzyloxy)butan-1-amine
CID 18322329
2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine
CID 11680163
(2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
CID 15749446
(2S)-2-[(2S,4S)-2-phenyl-2-propyl-1,3-dioxolan-4-yl]piperidine
CID 15749447
(2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
CID 15749449
(1S)-1-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine
CID 44275980
(1S)-1-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylethanamine
CID 44276364
2-(2-Ethyl-2-phenyl-1,3-dioxan-4-yl)ethanamine
CID 53249143

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine (CID 73059933) is 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine is CCC1(c2ccccc2)OCC(CCN)O1.
What is the InChIKey of 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is OTBOADKGPXWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-13(11-6-4-3-5-7-11)15-10-12(16-13)8-9-14/h3-7,12H,2,8-10,14H2,1H3.
What are the key properties of 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine?
2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 73059933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).