7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C16H24N2O2 — CID 107397347

IUPAC7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCN(Cc1cc2c(cc1N)OCCO2)CC1CCC1
InChIInChI=1S/C16H24N2O2/c1-2-18(10-12-4-3-5-12)11-13-8-15-16(9-14(13)17)20-7-6-19-15/h8-9,12H,2-7,10-11,17H2,1H3
InChIKeyCADBLNULPSFOLA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

About 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 107397347) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID107397347
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCN(Cc1cc2c(cc1N)OCCO2)CC1CCC1
InChIInChI=1S/C16H24N2O2/c1-2-18(10-12-4-3-5-12)11-13-8-15-16(9-14(13)17)20-7-6-19-15/h8-9,12H,2-7,10-11,17H2,1H3
InChIKeyCADBLNULPSFOLA-UHFFFAOYSA-N
XLogP2.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine with MolForge

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Related Compounds

7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43613817
3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
CID 107397403
2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385506
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 63955917
7-[[methyl(pentan-3-yl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43570680
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
CID 107401977
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017
N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
CID 107401482
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 107402081
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
7-(ethylsulfonylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43444653
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869

Frequently Asked Questions

What is the IUPAC name of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 107397347) is 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is CCN(Cc1cc2c(cc1N)OCCO2)CC1CCC1.
What is the InChIKey of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is CADBLNULPSFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18(10-12-4-3-5-12)11-13-8-15-16(9-14(13)17)20-7-6-19-15/h8-9,12H,2-7,10-11,17H2,1H3.
What are the key properties of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 276.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 107397347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).