3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C19H23NO2 — CID 43824319

IUPAC3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCOc1ccc(CNC2CC(C)c3c(C)ccc(O)c32)cc1
InChIInChI=1S/C19H23NO2/c1-12-4-9-17(21)19-16(10-13(2)18(12)19)20-11-14-5-7-15(22-3)8-6-14/h4-9,13,16,20-21H,10-11H2,1-3H3
InChIKeyIPONMZGVAKVFSP-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.05
Rot. Bonds4

About 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 43824319) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID43824319
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCOc1ccc(CNC2CC(C)c3c(C)ccc(O)c32)cc1
InChIInChI=1S/C19H23NO2/c1-12-4-9-17(21)19-16(10-13(2)18(12)19)20-11-14-5-7-15(22-3)8-6-14/h4-9,13,16,20-21H,10-11H2,1-3H3
InChIKeyIPONMZGVAKVFSP-UHFFFAOYSA-N
XLogP4.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 62996680
1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 43189533
3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64913231
1,7-dimethyl-3-(3,3,3-trifluoropropylamino)-2,3-dihydro-1H-inden-4-ol
CID 63226189
1,7-dimethyl-3-(pent-4-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 104582781
3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 62634150
1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 43203893
3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 43499586
1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 104583359
1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 43195520
3-[(1,1-dioxothiolan-3-yl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 61058395
1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 61215281

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 43824319) is 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is COc1ccc(CNC2CC(C)c3c(C)ccc(O)c32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is IPONMZGVAKVFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-4-9-17(21)19-16(10-13(2)18(12)19)20-11-14-5-7-15(22-3)8-6-14/h4-9,13,16,20-21H,10-11H2,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 297.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43824319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).