1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine

C13H19NO2 — CID 65352769

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)C1COc2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-3-6-10(14-2)13-9-15-11-7-4-5-8-12(11)16-13/h4-5,7-8,10,13-14H,3,6,9H2,1-2H3
InChIKeyITZOOGVWQJDZOK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine (PubChem CID 65352769) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
PubChem CID65352769
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)C1COc2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-3-6-10(14-2)13-9-15-11-7-4-5-8-12(11)16-13/h4-5,7-8,10,13-14H,3,6,9H2,1-2H3
InChIKeyITZOOGVWQJDZOK-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine
CID 65352196
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049477
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 71633036
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-propylbut-3-yn-1-amine
CID 65352058
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65351956
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 65351512
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
CID 105230212
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine (CID 65352769) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine is CCCC(NC)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine?
The InChIKey is ITZOOGVWQJDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-6-10(14-2)13-9-15-11-7-4-5-8-12(11)16-13/h4-5,7-8,10,13-14H,3,6,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 65352769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).