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

C18H20FNO — CID 43194860

IUPAC3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-11-3-8-16(21)18-15(9-12(2)17(11)18)20-10-13-4-6-14(19)7-5-13/h3-8,12,15,20-21H,9-10H2,1-2H3
InChIKeyMGIKINOGAQUGMK-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.18
Rot. Bonds3

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

3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 43194860) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID43194860
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-11-3-8-16(21)18-15(9-12(2)17(11)18)20-10-13-4-6-14(19)7-5-13/h3-8,12,15,20-21H,9-10H2,1-2H3
InChIKeyMGIKINOGAQUGMK-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 43194860) is 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MGIKINOGAQUGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11-3-8-16(21)18-15(9-12(2)17(11)18)20-10-13-4-6-14(19)7-5-13/h3-8,12,15,20-21H,9-10H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 285.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43194860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).