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'}

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Related Compounds

N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034765
N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034764
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
(2R)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-2-ol
CID 138696420
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 43443892
N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine
CID 102559194
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide
CID 129370018
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756

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).