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

C19H21NO3 — CID 23373762

IUPACN-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCCOc1cccc3c1OCO3)C2
InChIInChI=1S/C19H21NO3/c1-2-6-15-12-16(11-14(15)5-1)20-9-4-10-21-17-7-3-8-18-19(17)23-13-22-18/h1-3,5-8,16,20H,4,9-13H2
InChIKeyZMDKCHVLIQBUEL-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.94
Rot. Bonds6

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

N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 23373762) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID23373762
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCCOc1cccc3c1OCO3)C2
InChIInChI=1S/C19H21NO3/c1-2-6-15-12-16(11-14(15)5-1)20-9-4-10-21-17-7-3-8-18-19(17)23-13-22-18/h1-3,5-8,16,20H,4,9-13H2
InChIKeyZMDKCHVLIQBUEL-UHFFFAOYSA-N
XLogP2.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.94
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-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 23373810
N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 23373789
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-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 23373803
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 15295831
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-ethylpropan-1-amine chloride
CID 21228871
4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
CID 22974648
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 23373775

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine (CID 23373762) is N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCCCOc1cccc3c1OCO3)C2.
What is the InChIKey of N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZMDKCHVLIQBUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-6-15-12-16(11-14(15)5-1)20-9-4-10-21-17-7-3-8-18-19(17)23-13-22-18/h1-3,5-8,16,20H,4,9-13H2.
What are the key properties of N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 311.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23373762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).