1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol

C18H21NO2 — CID 62380402

IUPAC1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCCCOc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18-9-4-8-15-16(18)10-11-17(15)19-12-5-13-21-14-6-2-1-3-7-14/h1-4,6-9,17,19-20H,5,10-13H2
InChIKeyJBQWOLXUUUJBDD-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.44
Rot. Bonds6

About 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol

1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 62380402) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID62380402
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCCCOc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18-9-4-8-15-16(18)10-11-17(15)19-12-5-13-21-14-6-2-1-3-7-14/h1-4,6-9,17,19-20H,5,10-13H2
InChIKeyJBQWOLXUUUJBDD-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145
1-(2-cyclohexylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 54931966
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176
1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115869693
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028
4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 106426048

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol (CID 62380402) is 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2NCCCOc1ccccc1.
What is the InChIKey of 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is JBQWOLXUUUJBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18-9-4-8-15-16(18)10-11-17(15)19-12-5-13-21-14-6-2-1-3-7-14/h1-4,6-9,17,19-20H,5,10-13H2.
What are the key properties of 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol?
1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 283.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 62380402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).