5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine

C9H10FNO2 — CID 143631181

IUPAC5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine
SMILESCNc1cc(F)c2c(c1)OCOC2
InChIInChI=1S/C9H10FNO2/c1-11-6-2-8(10)7-4-12-5-13-9(7)3-6/h2-3,11H,4-5H2,1H3
InChIKeyRWRSKLUYHCDWBP-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.73
Rot. Bonds1

About 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine

5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine (PubChem CID 143631181) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine
PubChem CID143631181
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine
SMILESCNc1cc(F)c2c(c1)OCOC2
InChIInChI=1S/C9H10FNO2/c1-11-6-2-8(10)7-4-12-5-13-9(7)3-6/h2-3,11H,4-5H2,1H3
InChIKeyRWRSKLUYHCDWBP-UHFFFAOYSA-N
XLogP1.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
CID 84667457
4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline
CID 69469933
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
CID 67416939
8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 89390104
N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117288231
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117302756
2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
CID 117301446
1-[(6-fluoro-4H-1,3-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117321540
2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine
CID 84700030
3,4-difluoro-N-methylaniline;methanimine
CID 144600669
1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346754
4-(6-fluoro-4H-1,3-benzodioxin-5-yl)butanoic acid
CID 117352753

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine?
The IUPAC name of 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine (CID 143631181) is 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine?
The canonical SMILES for 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine is CNc1cc(F)c2c(c1)OCOC2.
What is the InChIKey of 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine?
The InChIKey is RWRSKLUYHCDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11-6-2-8(10)7-4-12-5-13-9(7)3-6/h2-3,11H,4-5H2,1H3.
What are the key properties of 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine?
5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine has a molecular weight of 183.18 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine is sourced from PubChem (CID 143631181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).