1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine

C13H16FNO2 — CID 117346753

IUPAC1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc3c2OCCO3)CC1
InChIInChI=1S/C13H16FNO2/c1-8(15)13(4-5-13)11-9(14)2-3-10-12(11)17-7-6-16-10/h2-3,8H,4-7,15H2,1H3
InChIKeyVOARRHQCHKEDSM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.98
Rot. Bonds2

About 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine

1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine (PubChem CID 117346753) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
PubChem CID117346753
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc3c2OCCO3)CC1
InChIInChI=1S/C13H16FNO2/c1-8(15)13(4-5-13)11-9(14)2-3-10-12(11)17-7-6-16-10/h2-3,8H,4-7,15H2,1H3
InChIKeyVOARRHQCHKEDSM-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117319414
6-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376486
1-[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanamine
CID 117480230
6-[1-(1-aminoethyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117342273
1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346754
1-[1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117456224
4-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-1,3-benzodioxol-5-ol
CID 117350352
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one
CID 84689622
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
CID 117309972
1-[1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanamine
CID 117452425

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine (CID 117346753) is 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine is CC(N)C1(c2c(F)ccc3c2OCCO3)CC1.
What is the InChIKey of 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine?
The InChIKey is VOARRHQCHKEDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8(15)13(4-5-13)11-9(14)2-3-10-12(11)17-7-6-16-10/h2-3,8H,4-7,15H2,1H3.
What are the key properties of 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine?
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine has a molecular weight of 237.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117346753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).