N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine

C14H21NO2 — CID 91335559

IUPACN,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine
SMILESCCCN(CCC)C1COOc2ccccc21
InChIInChI=1S/C14H21NO2/c1-3-9-15(10-4-2)13-11-16-17-14-8-6-5-7-12(13)14/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyYUUDHQYIAOYWMU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.17
Rot. Bonds5

About N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine

N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine (PubChem CID 91335559) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine.

Molecular Properties

Compound NameN,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine
PubChem CID91335559
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine
SMILESCCCN(CCC)C1COOc2ccccc21
InChIInChI=1S/C14H21NO2/c1-3-9-15(10-4-2)13-11-16-17-14-8-6-5-7-12(13)14/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyYUUDHQYIAOYWMU-UHFFFAOYSA-N
XLogP3.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine?
The IUPAC name of N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine (CID 91335559) is N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine.
What is the SMILES notation for N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine?
The canonical SMILES for N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine is CCCN(CCC)C1COOc2ccccc21.
What is the InChIKey of N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine?
The InChIKey is YUUDHQYIAOYWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15(10-4-2)13-11-16-17-14-8-6-5-7-12(13)14/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine?
N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine is sourced from PubChem (CID 91335559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).