N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine

C15H21NO2 — CID 63990132

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-10(7-12-3-4-12)16-11(2)13-5-6-14-15(8-13)18-9-17-14/h5-6,8,10-12,16H,3-4,7,9H2,1-2H3
InChIKeyGWRBFUYCHQOGIU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.25
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine (PubChem CID 63990132) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
PubChem CID63990132
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-10(7-12-3-4-12)16-11(2)13-5-6-14-15(8-13)18-9-17-14/h5-6,8,10-12,16H,3-4,7,9H2,1-2H3
InChIKeyGWRBFUYCHQOGIU-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43689410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 113348615
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43689421
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
1-cyclopropyl-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-2-amine
CID 63989729
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine (CID 63990132) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)NC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine?
The InChIKey is GWRBFUYCHQOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(7-12-3-4-12)16-11(2)13-5-6-14-15(8-13)18-9-17-14/h5-6,8,10-12,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 63990132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).