1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol

C15H18F3NO — CID 106210622

IUPAC1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NC1(C(F)(F)F)CC1
InChIInChI=1S/C15H18F3NO/c1-8-3-4-11(20)13-10(7-9(2)12(8)13)19-14(5-6-14)15(16,17)18/h3-4,9-10,19-20H,5-7H2,1-2H3
InChIKeyDQQDYGBJKNABJK-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.93
Rot. Bonds2

About 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 106210622) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID106210622
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NC1(C(F)(F)F)CC1
InChIInChI=1S/C15H18F3NO/c1-8-3-4-11(20)13-10(7-9(2)12(8)13)19-14(5-6-14)15(16,17)18/h3-4,9-10,19-20H,5-7H2,1-2H3
InChIKeyDQQDYGBJKNABJK-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.93
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 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 106210622) is 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NC1(C(F)(F)F)CC1.
What is the InChIKey of 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is DQQDYGBJKNABJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-8-3-4-11(20)13-10(7-9(2)12(8)13)19-14(5-6-14)15(16,17)18/h3-4,9-10,19-20H,5-7H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 285.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 106210622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).