1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine

C13H17NO2 — CID 105474174

IUPAC1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc3c(c2)OCOC3)CC1
InChIInChI=1S/C13H17NO2/c14-13(5-6-13)4-3-10-1-2-11-8-15-9-16-12(11)7-10/h1-2,7H,3-6,8-9,14H2
InChIKeyKPGJPQGSPMWSBY-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.98
Rot. Bonds3

About 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine

1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine (PubChem CID 105474174) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine
PubChem CID105474174
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc3c(c2)OCOC3)CC1
InChIInChI=1S/C13H17NO2/c14-13(5-6-13)4-3-10-1-2-11-8-15-9-16-12(11)7-10/h1-2,7H,3-6,8-9,14H2
InChIKeyKPGJPQGSPMWSBY-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine (CID 105474174) is 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine is NC1(CCc2ccc3c(c2)OCOC3)CC1.
What is the InChIKey of 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine?
The InChIKey is KPGJPQGSPMWSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-13(5-6-13)4-3-10-1-2-11-8-15-9-16-12(11)7-10/h1-2,7H,3-6,8-9,14H2.
What are the key properties of 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine?
1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine has a molecular weight of 219.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105474174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).