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

C14H19FN2O2 — CID 123365132

IUPAC1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
SMILESNC(Cc1cc(F)c2c(c1)OCCO2)CN1CCC1
InChIInChI=1S/C14H19FN2O2/c15-12-7-10(6-11(16)9-17-2-1-3-17)8-13-14(12)19-5-4-18-13/h7-8,11H,1-6,9,16H2
InChIKeyAYQDKNYOTYSCIV-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.17
Rot. Bonds4

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

1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine (PubChem CID 123365132) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
PubChem CID123365132
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
SMILESNC(Cc1cc(F)c2c(c1)OCCO2)CN1CCC1
InChIInChI=1S/C14H19FN2O2/c15-12-7-10(6-11(16)9-17-2-1-3-17)8-13-14(12)19-5-4-18-13/h7-8,11H,1-6,9,16H2
InChIKeyAYQDKNYOTYSCIV-UHFFFAOYSA-N
XLogP1.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
CID 117303633
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325306
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]azetidine;4-naphthalen-2-yl-2-oxobutanamide
CID 144811507
(3R)-N-[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
CID 134288414
3-amino-3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117390644
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117381311
3-amino-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117354502
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117323253
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
The IUPAC name of 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine (CID 123365132) is 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine.
What is the SMILES notation for 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
The canonical SMILES for 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine is NC(Cc1cc(F)c2c(c1)OCCO2)CN1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
The InChIKey is AYQDKNYOTYSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-7-10(6-11(16)9-17-2-1-3-17)8-13-14(12)19-5-4-18-13/h7-8,11H,1-6,9,16H2.
What are the key properties of 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine has a molecular weight of 266.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine is sourced from PubChem (CID 123365132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).