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

C14H19NO2 — CID 105493076

IUPAC1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc(C3COCO3)cc2)CC1
InChIInChI=1S/C14H19NO2/c15-14(7-8-14)6-5-11-1-3-12(4-2-11)13-9-16-10-17-13/h1-4,13H,5-10,15H2
InChIKeyKJUOOSPZPPANOR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds4

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

1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine (PubChem CID 105493076) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine
PubChem CID105493076
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc(C3COCO3)cc2)CC1
InChIInChI=1S/C14H19NO2/c15-14(7-8-14)6-5-11-1-3-12(4-2-11)13-9-16-10-17-13/h1-4,13H,5-10,15H2
InChIKeyKJUOOSPZPPANOR-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine (CID 105493076) is 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine is NC1(CCc2ccc(C3COCO3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine?
The InChIKey is KJUOOSPZPPANOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-14(7-8-14)6-5-11-1-3-12(4-2-11)13-9-16-10-17-13/h1-4,13H,5-10,15H2.
What are the key properties of 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine?
1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-dioxolan-4-yl)phenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105493076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).