4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol

C19H23NO — CID 103952094

IUPAC4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H23NO/c1-19(2,11-12-21)13-20-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18,20-21H,11-13H2,1-2H3
InChIKeyLKQPTOQTWPTORP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.75
Rot. Bonds5

About 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol

4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol (PubChem CID 103952094) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol
PubChem CID103952094
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H23NO/c1-19(2,11-12-21)13-20-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18,20-21H,11-13H2,1-2H3
InChIKeyLKQPTOQTWPTORP-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol (CID 103952094) is 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is LKQPTOQTWPTORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,11-12-21)13-20-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18,20-21H,11-13H2,1-2H3.
What are the key properties of 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol?
4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103952094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).