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

C13H16FNO2 — CID 117346754

IUPAC1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc3c2COCO3)CC1
InChIInChI=1S/C13H16FNO2/c1-8(15)13(4-5-13)12-9-6-16-7-17-11(9)3-2-10(12)14/h2-3,8H,4-7,15H2,1H3
InChIKeyKCMPKEUCMIRPDH-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.07
Rot. Bonds2

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

1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine (PubChem CID 117346754) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
PubChem CID117346754
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc3c2COCO3)CC1
InChIInChI=1S/C13H16FNO2/c1-8(15)13(4-5-13)12-9-6-16-7-17-11(9)3-2-10(12)14/h2-3,8H,4-7,15H2,1H3
InChIKeyKCMPKEUCMIRPDH-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopentane-1-carboxylic acid
CID 117419382
4-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-1,3-benzodioxol-5-ol
CID 117350352
1-[1-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117486152
1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117319411
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117327906
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
CID 117309972
1-[(6-fluoro-4H-1,3-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117321540
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
CID 84667457

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine (CID 117346754) is 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine is CC(N)C1(c2c(F)ccc3c2COCO3)CC1.
What is the InChIKey of 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine?
The InChIKey is KCMPKEUCMIRPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8(15)13(4-5-13)12-9-6-16-7-17-11(9)3-2-10(12)14/h2-3,8H,4-7,15H2,1H3.
What are the key properties of 1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine?
1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine has a molecular weight of 237.27 g/mol, XLogP of 2.07, 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-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117346754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).