1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine

C12H14FNO2 — CID 117319414

IUPAC1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc3c2OCO3)CC1
InChIInChI=1S/C12H14FNO2/c1-7(14)12(4-5-12)10-8(13)2-3-9-11(10)16-6-15-9/h2-3,7H,4-6,14H2,1H3
InChIKeyCPKIAFQUDSIBGI-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.93
Rot. Bonds2

About 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine

1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine (PubChem CID 117319414) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
PubChem CID117319414
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc3c2OCO3)CC1
InChIInChI=1S/C12H14FNO2/c1-7(14)12(4-5-12)10-8(13)2-3-9-11(10)16-6-15-9/h2-3,7H,4-6,14H2,1H3
InChIKeyCPKIAFQUDSIBGI-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753
1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346754
4-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-1,3-benzodioxol-5-ol
CID 117350352
1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84773304
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
1-[1-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117480231
6-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376486
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
5-fluoro-4-(1-isocyanatocyclopentyl)-1,3-benzodioxole
CID 117375386

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine (CID 117319414) is 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine is CC(N)C1(c2c(F)ccc3c2OCO3)CC1.
What is the InChIKey of 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine?
The InChIKey is CPKIAFQUDSIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7(14)12(4-5-12)10-8(13)2-3-9-11(10)16-6-15-9/h2-3,7H,4-6,14H2,1H3.
What are the key properties of 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine?
1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine has a molecular weight of 223.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117319414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).