9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol

C24H21NO — CID 1313163

IUPAC9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol
SMILESCN(CC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C24H21NO/c1-25(18-19-10-3-2-4-11-19)17-9-16-24(26)22-14-7-5-12-20(22)21-13-6-8-15-23(21)24/h2-8,10-15,26H,17-18H2,1H3
InChIKeyVPSVAJBVJWMLRH-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.04
Rot. Bonds3

About 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol

9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol (PubChem CID 1313163) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol
PubChem CID1313163
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol
SMILESCN(CC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C24H21NO/c1-25(18-19-10-3-2-4-11-19)17-9-16-24(26)22-14-7-5-12-20(22)21-13-6-8-15-23(21)24/h2-8,10-15,26H,17-18H2,1H3
InChIKeyVPSVAJBVJWMLRH-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol?
The IUPAC name of 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol (CID 1313163) is 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol.
What is the SMILES notation for 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol?
The canonical SMILES for 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol is CN(CC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1.
What is the InChIKey of 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol?
The InChIKey is VPSVAJBVJWMLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-25(18-19-10-3-2-4-11-19)17-9-16-24(26)22-14-7-5-12-20(22)21-13-6-8-15-23(21)24/h2-8,10-15,26H,17-18H2,1H3.
What are the key properties of 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol?
9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol has a molecular weight of 339.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol is sourced from PubChem (CID 1313163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).