1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine

C11H12FNO3 — CID 84789967

IUPAC1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESCOc1c(F)cc2c(c1C1(N)CC1)OCO2
InChIInChI=1S/C11H12FNO3/c1-14-9-6(12)4-7-10(16-5-15-7)8(9)11(13)2-3-11/h4H,2-3,5,13H2,1H3
InChIKeyBTIWDAWTBMTRCY-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.51
Rot. Bonds2

About 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine

1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine (PubChem CID 84789967) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
PubChem CID84789967
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESCOc1c(F)cc2c(c1C1(N)CC1)OCO2
InChIInChI=1S/C11H12FNO3/c1-14-9-6(12)4-7-10(16-5-15-7)8(9)11(13)2-3-11/h4H,2-3,5,13H2,1H3
InChIKeyBTIWDAWTBMTRCY-UHFFFAOYSA-N
XLogP1.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84773304
1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117293470
6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride
CID 84712248
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117329917
[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
CID 117476076
3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 84703771
1-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117397549
1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117324895
1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117489156
1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84790513
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117462721

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine (CID 84789967) is 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine is COc1c(F)cc2c(c1C1(N)CC1)OCO2.
What is the InChIKey of 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The InChIKey is BTIWDAWTBMTRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-14-9-6(12)4-7-10(16-5-15-7)8(9)11(13)2-3-11/h4H,2-3,5,13H2,1H3.
What are the key properties of 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine has a molecular weight of 225.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84789967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).