N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine

C15H21NO2 — CID 79346981

IUPACN-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-12(2)11-16-7-3-4-13-5-6-14-15(10-13)18-9-8-17-14/h3-6,10,12,16H,7-9,11H2,1-2H3
InChIKeyUYMXOAAGBKOBEI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds5

About N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine

N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 79346981) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine
PubChem CID79346981
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-12(2)11-16-7-3-4-13-5-6-14-15(10-13)18-9-8-17-14/h3-6,10,12,16H,7-9,11H2,1-2H3
InChIKeyUYMXOAAGBKOBEI-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 123532404
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79342677
4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enal
CID 170482023
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
N-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-methylbutanamide
CID 110712161
6-[(1E,3R)-3-methylhexa-1,5-dienyl]-2,3-dihydro-1,4-benzodioxine
CID 172743477
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79341702
6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine
CID 171681025
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
N-[3-(3,5-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79348417
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169465574

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine (CID 79346981) is N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine is CC(C)CNCC=Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is UYMXOAAGBKOBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)11-16-7-3-4-13-5-6-14-15(10-13)18-9-8-17-14/h3-6,10,12,16H,7-9,11H2,1-2H3.
What are the key properties of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79346981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).