[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine

C14H19NO2 — CID 178197766

IUPAC[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO2/c1-14(2)10(8-15)13(14)9-3-4-11-12(7-9)17-6-5-16-11/h3-4,7,10,13H,5-6,8,15H2,1-2H3/t10-,13-/m1/s1
InChIKeyHJFHTFDATLINDZ-ZWNOBZJWSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds2

About [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197766) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197766
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO2/c1-14(2)10(8-15)13(14)9-3-4-11-12(7-9)17-6-5-16-11/h3-4,7,10,13H,5-6,8,15H2,1-2H3/t10-,13-/m1/s1
InChIKeyHJFHTFDATLINDZ-ZWNOBZJWSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine (CID 178197766) is [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1ccc2c(c1)OCCO2.
What is the InChIKey of [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is HJFHTFDATLINDZ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)10(8-15)13(14)9-3-4-11-12(7-9)17-6-5-16-11/h3-4,7,10,13H,5-6,8,15H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).