2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine

C13H17NO2 — CID 83837134

IUPAC2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CN)(c1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C13H17NO2/c1-13(7-14,9-2-3-9)10-4-5-11-12(6-10)16-8-15-11/h4-6,9H,2-3,7-8,14H2,1H3
InChIKeyXWAHWRLVGMAEBD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.04
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine

2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine (PubChem CID 83837134) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine
PubChem CID83837134
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CN)(c1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C13H17NO2/c1-13(7-14,9-2-3-9)10-4-5-11-12(6-10)16-8-15-11/h4-6,9H,2-3,7-8,14H2,1H3
InChIKeyXWAHWRLVGMAEBD-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1,3-benzodioxol-5-yl)-1-cyclopropylethanol
CID 97294109
3-(1,3-benzodioxol-5-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839632
5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole
CID 116841652
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
4-amino-2-(1,3-benzodioxol-5-yl)butan-2-ol
CID 82395145
2-cyclopropyl-2-(4-fluorophenyl)propan-1-amine
CID 83830466
2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
CID 83835621
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449
(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
CID 30116351
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine (CID 83837134) is 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine is CC(CN)(c1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine?
The InChIKey is XWAHWRLVGMAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(7-14,9-2-3-9)10-4-5-11-12(6-10)16-8-15-11/h4-6,9H,2-3,7-8,14H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine?
2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine has a molecular weight of 219.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 83837134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).