1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine

C10H12FNO2 — CID 84667457

IUPAC1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
SMILESCNCc1c(F)ccc2c1COCO2
InChIInChI=1S/C10H12FNO2/c1-12-4-7-8-5-13-6-14-10(8)3-2-9(7)11/h2-3,12H,4-6H2,1H3
InChIKeyNLNPPNNDMAPTFF-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.41
Rot. Bonds2

About 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine

1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine (PubChem CID 84667457) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
PubChem CID84667457
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
SMILESCNCc1c(F)ccc2c1COCO2
InChIInChI=1S/C10H12FNO2/c1-12-4-7-8-5-13-6-14-10(8)3-2-9(7)11/h2-3,12H,4-6H2,1H3
InChIKeyNLNPPNNDMAPTFF-UHFFFAOYSA-N
XLogP1.41
TPSA30.49 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117302756
1-[(6-fluoro-4H-1,3-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117321540
4-(6-fluoro-4H-1,3-benzodioxin-5-yl)butanoic acid
CID 117352753
5-fluoro-N-methyl-4H-1,3-benzodioxin-7-amine
CID 143631181
2-(6-bromo-4H-1,3-benzodioxin-5-yl)ethanamine
CID 84709288
(6-bromo-4H-1,3-benzodioxin-5-yl)methanol
CID 84704764
1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346754
2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine
CID 84700030
N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine
CID 84696405
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117321952
(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
CID 117446964
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopentane-1-carboxylic acid
CID 117419382

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine (CID 84667457) is 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine is CNCc1c(F)ccc2c1COCO2.
What is the InChIKey of 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine?
The InChIKey is NLNPPNNDMAPTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12-4-7-8-5-13-6-14-10(8)3-2-9(7)11/h2-3,12H,4-6H2,1H3.
What are the key properties of 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine?
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine has a molecular weight of 197.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 84667457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).