2-(1,3-benzodioxol-5-yloxy)propan-1-amine

C10H13NO3 — CID 22688832

IUPAC2-(1,3-benzodioxol-5-yloxy)propan-1-amine
SMILESCC(CN)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-7(5-11)14-8-2-3-9-10(4-8)13-6-12-9/h2-4,7H,5-6,11H2,1H3
InChIKeyLFDXURNCFROZRO-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.14
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yloxy)propan-1-amine

2-(1,3-benzodioxol-5-yloxy)propan-1-amine (PubChem CID 22688832) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)propan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)propan-1-amine
PubChem CID22688832
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(1,3-benzodioxol-5-yloxy)propan-1-amine
SMILESCC(CN)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-7(5-11)14-8-2-3-9-10(4-8)13-6-12-9/h2-4,7H,5-6,11H2,1H3
InChIKeyLFDXURNCFROZRO-UHFFFAOYSA-N
XLogP1.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
CID 93105125
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
4-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62451797
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
3-(1,3-benzodioxol-5-yloxy)-4,4,4-trifluorobutan-1-amine
CID 43753320
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)propan-1-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)propan-1-amine (CID 22688832) is 2-(1,3-benzodioxol-5-yloxy)propan-1-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)propan-1-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)propan-1-amine is CC(CN)Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)propan-1-amine?
The InChIKey is LFDXURNCFROZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(5-11)14-8-2-3-9-10(4-8)13-6-12-9/h2-4,7H,5-6,11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)propan-1-amine?
2-(1,3-benzodioxol-5-yloxy)propan-1-amine has a molecular weight of 195.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)propan-1-amine is sourced from PubChem (CID 22688832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).