1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine

C12H16FNO2 — CID 117323267

IUPAC1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C12H16FNO2/c1-12(2,14)7-8-5-9(13)11-10(6-8)15-3-4-16-11/h5-6H,3-4,7,14H2,1-2H3
InChIKeyMAMUYZJTMSAQLR-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.88
Rot. Bonds2

About 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine

1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine (PubChem CID 117323267) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
PubChem CID117323267
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C12H16FNO2/c1-12(2,14)7-8-5-9(13)11-10(6-8)15-3-4-16-11/h5-6H,3-4,7,14H2,1-2H3
InChIKeyMAMUYZJTMSAQLR-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-2-amine
CID 117391135
2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296103
2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117316768
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
CID 117303633
1-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117468385
tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate
CID 142473011
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
1-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-2-amine
CID 117392732
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117392742
1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 84807348
7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117486511

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine (CID 117323267) is 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(F)c2c(c1)OCCO2.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine?
The InChIKey is MAMUYZJTMSAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,14)7-8-5-9(13)11-10(6-8)15-3-4-16-11/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine?
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine has a molecular weight of 225.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117323267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).