5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine

C15H23NO3 — CID 62452164

IUPAC5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-12(2)16-8-4-3-5-9-17-13-6-7-14-15(10-13)19-11-18-14/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyPLBAIUPMBMUNHB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.96
Rot. Bonds8

About 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine

5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine (PubChem CID 62452164) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
PubChem CID62452164
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-12(2)16-8-4-3-5-9-17-13-6-7-14-15(10-13)19-11-18-14/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyPLBAIUPMBMUNHB-UHFFFAOYSA-N
XLogP2.96
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
4-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62451797
4-(1,3-benzodioxol-5-yl)-N-propan-2-ylbutan-1-amine
CID 98014825
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62452160
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine (CID 62452164) is 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCOc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is PLBAIUPMBMUNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)16-8-4-3-5-9-17-13-6-7-14-15(10-13)19-11-18-14/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine?
5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62452164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).