1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine

C15H21NO2 — CID 117371294

IUPAC1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)OCC(c2cccc(CC3(N)CC3)c2)O1
InChIInChI=1S/C15H21NO2/c1-14(2)17-10-13(18-14)12-5-3-4-11(8-12)9-15(16)6-7-15/h3-5,8,13H,6-7,9-10,16H2,1-2H3
InChIKeyZKQIBGGVUIIFEY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.54
Rot. Bonds3

About 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine

1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117371294) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117371294
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)OCC(c2cccc(CC3(N)CC3)c2)O1
InChIInChI=1S/C15H21NO2/c1-14(2)17-10-13(18-14)12-5-3-4-11(8-12)9-15(16)6-7-15/h3-5,8,13H,6-7,9-10,16H2,1-2H3
InChIKeyZKQIBGGVUIIFEY-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine
CID 11680163
[3-(2-Methyl-1,3-dioxolan-2-yl)phenyl]methanamine
CID 10726441
1,1,2-Trimethoxy-2-phenylethanamine
CID 53770420
2-(1-Aminoethyl)-2-phenyldioxolane
CID 54506116
4-(2-Aminoethyl)-2-ethyl-2-phenyl-1,3dioxolane
CID 73059933
(1S)-1-phenyl-1-[(4S,5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanamine
CID 134958616
[2-(4-Fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine
CID 82113320
2-[2-(4-Fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine
CID 82115043
3-[2-(4-Fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 82117241
2-[2-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169800
2-Methyl-2-(3-propylphenyl)-1,3-dioxolane
CID 13788241
(Z)-3-amino-4-[3-(2-phenyl-1,3-dioxolan-2-yl)phenyl]pent-2-enenitrile
CID 17827172

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine (CID 117371294) is 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine is CC1(C)OCC(c2cccc(CC3(N)CC3)c2)O1.
What is the InChIKey of 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is ZKQIBGGVUIIFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2)17-10-13(18-14)12-5-3-4-11(8-12)9-15(16)6-7-15/h3-5,8,13H,6-7,9-10,16H2,1-2H3.
What are the key properties of 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117371294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).