1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine

C12H14FNO2 — CID 117319411

IUPAC1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(F)c3c(c2)OCO3)CC1
InChIInChI=1S/C12H14FNO2/c1-7(14)12(2-3-12)8-4-9(13)11-10(5-8)15-6-16-11/h4-5,7H,2-3,6,14H2,1H3
InChIKeyUACMVDKONVWHHJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.93
Rot. Bonds2

About 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine

1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine (PubChem CID 117319411) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
PubChem CID117319411
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(F)c3c(c2)OCO3)CC1
InChIInChI=1S/C12H14FNO2/c1-7(14)12(2-3-12)8-4-9(13)11-10(5-8)15-6-16-11/h4-5,7H,2-3,6,14H2,1H3
InChIKeyUACMVDKONVWHHJ-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

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-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117319414
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]ethanamine
CID 117381299
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
1-[1-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117480231
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
CID 117359794
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346754

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine (CID 117319411) is 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine is CC(N)C1(c2cc(F)c3c(c2)OCO3)CC1.
What is the InChIKey of 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine?
The InChIKey is UACMVDKONVWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7(14)12(2-3-12)8-4-9(13)11-10(5-8)15-6-16-11/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine?
1-[1-(7-fluoro-1,3-benzodioxol-5-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-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117319411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).