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

C15H21NO2 — CID 117371295

IUPAC1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)OCC(c2ccc(CC3(N)CC3)cc2)O1
InChIInChI=1S/C15H21NO2/c1-14(2)17-10-13(18-14)12-5-3-11(4-6-12)9-15(16)7-8-15/h3-6,13H,7-10,16H2,1-2H3
InChIKeyBSKVCUFKBFNYES-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.54
Rot. Bonds3

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

1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117371295) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117371295
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)OCC(c2ccc(CC3(N)CC3)cc2)O1
InChIInChI=1S/C15H21NO2/c1-14(2)17-10-13(18-14)12-5-3-11(4-6-12)9-15(16)7-8-15/h3-6,13H,7-10,16H2,1-2H3
InChIKeyBSKVCUFKBFNYES-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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine (CID 117371295) is 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine is CC1(C)OCC(c2ccc(CC3(N)CC3)cc2)O1.
What is the InChIKey of 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is BSKVCUFKBFNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2)17-10-13(18-14)12-5-3-11(4-6-12)9-15(16)7-8-15/h3-6,13H,7-10,16H2,1-2H3.
What are the key properties of 1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(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-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117371295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).