4-(diethylamino)-1-phenylbut-2-yn-1-ol

C14H19NO — CID 2840585

IUPAC4-(diethylamino)-1-phenylbut-2-yn-1-ol
SMILESCCN(CC)CC#CC(O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-15(4-2)12-8-11-14(16)13-9-6-5-7-10-13/h5-7,9-10,14,16H,3-4,12H2,1-2H3
InChIKeyIUBSFDOHSKQPQS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.07
Rot. Bonds4

About 4-(diethylamino)-1-phenylbut-2-yn-1-ol

4-(diethylamino)-1-phenylbut-2-yn-1-ol (PubChem CID 2840585) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(diethylamino)-1-phenylbut-2-yn-1-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-phenylbut-2-yn-1-ol
PubChem CID2840585
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(diethylamino)-1-phenylbut-2-yn-1-ol
SMILESCCN(CC)CC#CC(O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-15(4-2)12-8-11-14(16)13-9-6-5-7-10-13/h5-7,9-10,14,16H,3-4,12H2,1-2H3
InChIKeyIUBSFDOHSKQPQS-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.07
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 4-(diethylamino)-1-phenylbut-2-yn-1-ol?
The IUPAC name of 4-(diethylamino)-1-phenylbut-2-yn-1-ol (CID 2840585) is 4-(diethylamino)-1-phenylbut-2-yn-1-ol.
What is the SMILES notation for 4-(diethylamino)-1-phenylbut-2-yn-1-ol?
The canonical SMILES for 4-(diethylamino)-1-phenylbut-2-yn-1-ol is CCN(CC)CC#CC(O)c1ccccc1.
What is the InChIKey of 4-(diethylamino)-1-phenylbut-2-yn-1-ol?
The InChIKey is IUBSFDOHSKQPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15(4-2)12-8-11-14(16)13-9-6-5-7-10-13/h5-7,9-10,14,16H,3-4,12H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-phenylbut-2-yn-1-ol?
4-(diethylamino)-1-phenylbut-2-yn-1-ol has a molecular weight of 217.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-phenylbut-2-yn-1-ol is sourced from PubChem (CID 2840585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).