N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine

C22H25FN2O2 — CID 91138781

IUPACN-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine
SMILESFc1ccc2c(ccn2OCCCNCCOC2CCc3ccccc32)c1
InChIInChI=1S/C22H25FN2O2/c23-19-7-8-21-18(16-19)10-13-25(21)27-14-3-11-24-12-15-26-22-9-6-17-4-1-2-5-20(17)22/h1-2,4-5,7-8,10,13,16,22,24H,3,6,9,11-12,14-15H2
InChIKeyIQMBEZHWLKBXLM-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.89
Rot. Bonds9

About N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine

N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine (PubChem CID 91138781) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine
PubChem CID91138781
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine
SMILESFc1ccc2c(ccn2OCCCNCCOC2CCc3ccccc32)c1
InChIInChI=1S/C22H25FN2O2/c23-19-7-8-21-18(16-19)10-13-25(21)27-14-3-11-24-12-15-26-22-9-6-17-4-1-2-5-20(17)22/h1-2,4-5,7-8,10,13,16,22,24H,3,6,9,11-12,14-15H2
InChIKeyIQMBEZHWLKBXLM-UHFFFAOYSA-N
XLogP3.89
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine (CID 91138781) is N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine is Fc1ccc2c(ccn2OCCCNCCOC2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine?
The InChIKey is IQMBEZHWLKBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-7-8-21-18(16-19)10-13-25(21)27-14-3-11-24-12-15-26-22-9-6-17-4-1-2-5-20(17)22/h1-2,4-5,7-8,10,13,16,22,24H,3,6,9,11-12,14-15H2.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine?
N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine has a molecular weight of 368.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine is sourced from PubChem (CID 91138781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).