N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine

C24H31NO3 — CID 23373775

IUPACN-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCCCOc1cccc2c1OCOC2)C1Cc2ccccc2C1
InChIInChI=1S/C24H31NO3/c1-2-12-25(22-15-19-8-3-4-9-20(19)16-22)13-5-6-14-27-23-11-7-10-21-17-26-18-28-24(21)23/h3-4,7-11,22H,2,5-6,12-18H2,1H3
InChIKeyJWGGKETVKJUHFO-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.59
Rot. Bonds9

About N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine

N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 23373775) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
PubChem CID23373775
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCCCOc1cccc2c1OCOC2)C1Cc2ccccc2C1
InChIInChI=1S/C24H31NO3/c1-2-12-25(22-15-19-8-3-4-9-20(19)16-22)13-5-6-14-27-23-11-7-10-21-17-26-18-28-24(21)23/h3-4,7-11,22H,2,5-6,12-18H2,1H3
InChIKeyJWGGKETVKJUHFO-UHFFFAOYSA-N
XLogP4.59
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine (CID 23373775) is N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCCCOc1cccc2c1OCOC2)C1Cc2ccccc2C1.
What is the InChIKey of N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is JWGGKETVKJUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-2-12-25(22-15-19-8-3-4-9-20(19)16-22)13-5-6-14-27-23-11-7-10-21-17-26-18-28-24(21)23/h3-4,7-11,22H,2,5-6,12-18H2,1H3.
What are the key properties of N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 381.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23373775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).