N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine

C15H21NO2 — CID 23571445

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine
SMILESCCC1CC(NCC2COc3ccccc3O2)C1
InChIInChI=1S/C15H21NO2/c1-2-11-7-12(8-11)16-9-13-10-17-14-5-3-4-6-15(14)18-13/h3-6,11-13,16H,2,7-10H2,1H3
InChIKeyIGRJHCOOKPEJBQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine (PubChem CID 23571445) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine
PubChem CID23571445
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine
SMILESCCC1CC(NCC2COc3ccccc3O2)C1
InChIInChI=1S/C15H21NO2/c1-2-11-7-12(8-11)16-9-13-10-17-14-5-3-4-6-15(14)18-13/h3-6,11-13,16H,2,7-10H2,1H3
InChIKeyIGRJHCOOKPEJBQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclopentan-1-amine
CID 64502068
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665501
S-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]thiohydroxylamine
CID 89344288
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,2,2-trifluoroethanamine
CID 54892953
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 91396275
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxyethanamine
CID 60719601
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,2-diamine
CID 83960709
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43204664
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine (CID 23571445) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine is CCC1CC(NCC2COc3ccccc3O2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine?
The InChIKey is IGRJHCOOKPEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-11-7-12(8-11)16-9-13-10-17-14-5-3-4-6-15(14)18-13/h3-6,11-13,16H,2,7-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine is sourced from PubChem (CID 23571445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).