1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol

C17H26N2O2 — CID 43195520

IUPAC1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-12-3-4-15(20)17-14(11-13(2)16(12)17)18-5-6-19-7-9-21-10-8-19/h3-4,13-14,18,20H,5-11H2,1-2H3
InChIKeyARGDVEYWLHOSNE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.17
Rot. Bonds4

About 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43195520) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43195520
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-12-3-4-15(20)17-14(11-13(2)16(12)17)18-5-6-19-7-9-21-10-8-19/h3-4,13-14,18,20H,5-11H2,1-2H3
InChIKeyARGDVEYWLHOSNE-UHFFFAOYSA-N
XLogP2.17
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol (CID 43195520) is 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCCN1CCOCC1.
What is the InChIKey of 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ARGDVEYWLHOSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-3-4-15(20)17-14(11-13(2)16(12)17)18-5-6-19-7-9-21-10-8-19/h3-4,13-14,18,20H,5-11H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 290.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43195520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).