1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine

C12H15NO3 — CID 117315797

IUPAC1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
SMILESCOc1cc(CC2(N)CC2)cc2c1OCO2
InChIInChI=1S/C12H15NO3/c1-14-9-4-8(6-12(13)2-3-12)5-10-11(9)16-7-15-10/h4-5H,2-3,6-7,13H2,1H3
InChIKeyAOLXULHEDOFZDU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.46
Rot. Bonds3

About 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine

1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117315797) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
PubChem CID117315797
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
SMILESCOc1cc(CC2(N)CC2)cc2c1OCO2
InChIInChI=1S/C12H15NO3/c1-14-9-4-8(6-12(13)2-3-12)5-10-11(9)16-7-15-10/h4-5H,2-3,6-7,13H2,1H3
InChIKeyAOLXULHEDOFZDU-UHFFFAOYSA-N
XLogP1.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517
4-(7-methoxy-1,3-benzodioxol-5-yl)butanal
CID 158241343
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propanedioic acid
CID 170895488
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
[1-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexyl]methanol
CID 115909570
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460586
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine
CID 3567719
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbutan-2-amine
CID 113218807
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60590100

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine (CID 117315797) is 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine is COc1cc(CC2(N)CC2)cc2c1OCO2.
What is the InChIKey of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is AOLXULHEDOFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-14-9-4-8(6-12(13)2-3-12)5-10-11(9)16-7-15-10/h4-5H,2-3,6-7,13H2,1H3.
What are the key properties of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117315797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).