2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine

C10H12FNO2 — CID 117286816

IUPAC2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine
SMILESCC(CN)c1cc(F)c2c(c1)OCO2
InChIInChI=1S/C10H12FNO2/c1-6(4-12)7-2-8(11)10-9(3-7)13-5-14-10/h2-3,6H,4-5,12H2,1H3
InChIKeyVWVANLJYARDQLW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.62
Rot. Bonds2

About 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine

2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine (PubChem CID 117286816) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine
PubChem CID117286816
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine
SMILESCC(CN)c1cc(F)c2c(c1)OCO2
InChIInChI=1S/C10H12FNO2/c1-6(4-12)7-2-8(11)10-9(3-7)13-5-14-10/h2-3,6H,4-5,12H2,1H3
InChIKeyVWVANLJYARDQLW-UHFFFAOYSA-N
XLogP1.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-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

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117323253
3-(6-bromo-4-fluoro-1,3-benzodioxol-5-yl)butan-1-amine
CID 117468293
1-(7-fluoro-1,3-benzodioxol-5-yl)-2-(methylamino)ethanol
CID 117303666
2-(6-bromo-1,3-benzodioxol-4-yl)propan-1-amine
CID 117398360
2-(7-fluoro-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
CID 117304924
3-(7-hydroxy-1,3-benzodioxol-5-yl)butanal
CID 117297272
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117287632
4,6-difluoro-1,3-benzodioxole
CID 90413773
3-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)butan-1-amine
CID 117354821
4-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]butan-1-amine
CID 117359470
1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117319411
3-(6,7-dimethyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117316750

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine?
The IUPAC name of 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine (CID 117286816) is 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine?
The canonical SMILES for 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine is CC(CN)c1cc(F)c2c(c1)OCO2.
What is the InChIKey of 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine?
The InChIKey is VWVANLJYARDQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(4-12)7-2-8(11)10-9(3-7)13-5-14-10/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine?
2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine has a molecular weight of 197.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine is sourced from PubChem (CID 117286816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).