N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine

C18H19NO3 — CID 23373810

IUPACN-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCOc1cccc3c1OCO3)C2
InChIInChI=1S/C18H19NO3/c1-2-5-14-11-15(10-13(14)4-1)19-8-9-20-16-6-3-7-17-18(16)22-12-21-17/h1-7,15,19H,8-12H2
InChIKeyPNVUQTQMMVGKPU-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine

N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 23373810) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID23373810
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCOc1cccc3c1OCO3)C2
InChIInChI=1S/C18H19NO3/c1-2-5-14-11-15(10-13(14)4-1)19-8-9-20-16-6-3-7-17-18(16)22-12-21-17/h1-7,15,19H,8-12H2
InChIKeyPNVUQTQMMVGKPU-UHFFFAOYSA-N
XLogP2.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.55
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-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 23373762
N-[3-(1,3-benzodioxol-4-yloxy)propyl]aniline;hydrochloride
CID 169103310
3-(1,3-benzodioxol-4-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
CID 59144851
N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 23373789
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
CID 22974648
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 15295831
N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 23373803
3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-ethylpropan-1-amine chloride
CID 21228871
N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 23373775
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethanamine;hydrochloride
CID 122199548
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 23373810) is N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCCOc1cccc3c1OCO3)C2.
What is the InChIKey of N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PNVUQTQMMVGKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-5-14-11-15(10-13(14)4-1)19-8-9-20-16-6-3-7-17-18(16)22-12-21-17/h1-7,15,19H,8-12H2.
What are the key properties of N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 297.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23373810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).