1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine

C14H19NO2 — CID 117338688

IUPAC1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
SMILESCCc1c(CC2(N)CC2)ccc2c1OCCO2
InChIInChI=1S/C14H19NO2/c1-2-11-10(9-14(15)5-6-14)3-4-12-13(11)17-8-7-16-12/h3-4H,2,5-9,15H2,1H3
InChIKeyUBHPWKMVTASJJY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.05
Rot. Bonds3

About 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine

1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine (PubChem CID 117338688) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
PubChem CID117338688
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
SMILESCCc1c(CC2(N)CC2)ccc2c1OCCO2
InChIInChI=1S/C14H19NO2/c1-2-11-10(9-14(15)5-6-14)3-4-12-13(11)17-8-7-16-12/h3-4H,2,5-9,15H2,1H3
InChIKeyUBHPWKMVTASJJY-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine with MolForge

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Related Compounds

1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
1-[(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]cyclopropan-1-amine
CID 117408202
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117312717
3-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343355
[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine
CID 117371101
4-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 117379157
1-[(4-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117324424
1-[(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]cyclopropan-1-amine
CID 117371333
1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine
CID 117324426
1-[[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]cyclopropan-1-amine
CID 117417390
1-[(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117499282

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine (CID 117338688) is 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine is CCc1c(CC2(N)CC2)ccc2c1OCCO2.
What is the InChIKey of 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine?
The InChIKey is UBHPWKMVTASJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11-10(9-14(15)5-6-14)3-4-12-13(11)17-8-7-16-12/h3-4H,2,5-9,15H2,1H3.
What are the key properties of 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine?
1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117338688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).