2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine

C15H21NO3 — CID 116870299

IUPAC2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
SMILESCc1cc2c(cc1C1(CC(C)CN)COC1)OCO2
InChIInChI=1S/C15H21NO3/c1-10(6-16)5-15(7-17-8-15)12-4-14-13(3-11(12)2)18-9-19-14/h3-4,10H,5-9,16H2,1-2H3
InChIKeyMZKJMFLFJVMOTG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds4

About 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine

2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine (PubChem CID 116870299) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
PubChem CID116870299
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
SMILESCc1cc2c(cc1C1(CC(C)CN)COC1)OCO2
InChIInChI=1S/C15H21NO3/c1-10(6-16)5-15(7-17-8-15)12-4-14-13(3-11(12)2)18-9-19-14/h3-4,10H,5-9,16H2,1-2H3
InChIKeyMZKJMFLFJVMOTG-UHFFFAOYSA-N
XLogP1.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]methanamine
CID 116829634
2-methyl-N'-(6-methyl-1,3-benzodioxol-5-yl)butane-1,4-diamine
CID 115203011
2-amino-2-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]ethanol
CID 116874447
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870298
3-(6-methyl-1,3-benzodioxol-5-yl)oxetane-3-carbaldehyde
CID 116872410
N',2-dimethyl-N'-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 115198438
3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
CID 116870769
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
2-methyl-N'-[(6-methyl-1,3-benzodioxol-5-yl)methyl]butane-1,4-diamine
CID 115203252
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]oxetane-3-carbonitrile
CID 116930037
N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 116963674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine (CID 116870299) is 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine is Cc1cc2c(cc1C1(CC(C)CN)COC1)OCO2.
What is the InChIKey of 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine?
The InChIKey is MZKJMFLFJVMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(6-16)5-15(7-17-8-15)12-4-14-13(3-11(12)2)18-9-19-14/h3-4,10H,5-9,16H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine?
2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).