1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine

C15H21NO2 — CID 116929377

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc3c(c2)OCCO3)CCC1
InChIInChI=1S/C15H21NO2/c1-16-11-15(5-2-6-15)10-12-3-4-13-14(9-12)18-8-7-17-13/h3-4,9,16H,2,5-8,10-11H2,1H3
InChIKeyFKLKZTOERYBKFM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds4

About 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine (PubChem CID 116929377) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
PubChem CID116929377
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc3c(c2)OCCO3)CCC1
InChIInChI=1S/C15H21NO2/c1-16-11-15(5-2-6-15)10-12-3-4-13-14(9-12)18-8-7-17-13/h3-4,9,16H,2,5-8,10-11H2,1H3
InChIKeyFKLKZTOERYBKFM-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472
1-(3,4-dihydro-2H-chromen-6-yl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244745
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol
CID 116930311
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470020
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
CID 82129060
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]propan-1-amine
CID 62596277

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine (CID 116929377) is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine is CNCC1(Cc2ccc3c(c2)OCCO3)CCC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is FKLKZTOERYBKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-11-15(5-2-6-15)10-12-3-4-13-14(9-12)18-8-7-17-13/h3-4,9,16H,2,5-8,10-11H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116929377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).