3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol

C22H19NO — CID 134877327

IUPAC3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol
SMILESCN(C#CC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c1-23(21-15-9-4-10-16-21)18-17-22(24,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24H,1H3
InChIKeyPTGDHUVNBTXPNW-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.02
Rot. Bonds3

About 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol

3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol (PubChem CID 134877327) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol
PubChem CID134877327
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol
SMILESCN(C#CC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c1-23(21-15-9-4-10-16-21)18-17-22(24,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24H,1H3
InChIKeyPTGDHUVNBTXPNW-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol?
The IUPAC name of 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol (CID 134877327) is 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol.
What is the SMILES notation for 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol?
The canonical SMILES for 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol is CN(C#CC(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol?
The InChIKey is PTGDHUVNBTXPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-23(21-15-9-4-10-16-21)18-17-22(24,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24H,1H3.
What are the key properties of 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol?
3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol has a molecular weight of 313.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol is sourced from PubChem (CID 134877327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).