[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine

C15H21NO2 — CID 117371101

IUPAC[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine
SMILESCCc1c(C2(CN)CCC2)ccc2c1OCCO2
InChIInChI=1S/C15H21NO2/c1-2-11-12(15(10-16)6-3-7-15)4-5-13-14(11)18-9-8-17-13/h4-5H,2-3,6-10,16H2,1H3
InChIKeyKKAZEWXKRLCHMR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.40
Rot. Bonds3

About [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine

[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine (PubChem CID 117371101) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine
PubChem CID117371101
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine
SMILESCCc1c(C2(CN)CCC2)ccc2c1OCCO2
InChIInChI=1S/C15H21NO2/c1-2-11-12(15(10-16)6-3-7-15)4-5-13-14(11)18-9-8-17-13/h4-5H,2-3,6-10,16H2,1H3
InChIKeyKKAZEWXKRLCHMR-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376467
[1-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117423233
[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117497247
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
6-[1-(aminomethyl)cyclobutyl]-3,4-dihydro-2H-1,5-benzodioxepine-9-carbaldehyde
CID 117407478
[1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclobutyl]methanamine
CID 117412716
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
5-ethyl-6-(1-isocyanatocyclopropyl)-2,3-dihydro-1,4-benzodioxine
CID 117364695
1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117338688
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117315929
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446
[1-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]cyclobutyl]methanamine
CID 117463419

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine (CID 117371101) is [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine is CCc1c(C2(CN)CCC2)ccc2c1OCCO2.
What is the InChIKey of [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine?
The InChIKey is KKAZEWXKRLCHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-11-12(15(10-16)6-3-7-15)4-5-13-14(11)18-9-8-17-13/h4-5H,2-3,6-10,16H2,1H3.
What are the key properties of [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine?
[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117371101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).