1-(dimethylamino)-2-phenylbut-3-yn-2-ol

C12H15NO — CID 10442495

IUPAC1-(dimethylamino)-2-phenylbut-3-yn-2-ol
SMILESC#CC(O)(CN(C)C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h1,5-9,14H,10H2,2-3H3
InChIKeyDWIVLQJCSVWDIG-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.07
Rot. Bonds3

About 1-(dimethylamino)-2-phenylbut-3-yn-2-ol

1-(dimethylamino)-2-phenylbut-3-yn-2-ol (PubChem CID 10442495) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(dimethylamino)-2-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-phenylbut-3-yn-2-ol
PubChem CID10442495
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(dimethylamino)-2-phenylbut-3-yn-2-ol
SMILESC#CC(O)(CN(C)C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h1,5-9,14H,10H2,2-3H3
InChIKeyDWIVLQJCSVWDIG-UHFFFAOYSA-N
XLogP1.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
N',N'-dimethyl-2,2-diphenylpropane-1,3-diamine;hydrochloride
CID 54599759
3-methylpent-1-yn-3-ol;2-phenylbut-3-yn-2-ol
CID 158116279
2-(N-methylanilino)-1,1-diphenylethanol
CID 138972494
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977
[(3S)-3-methylpent-1-yn-3-yl]benzene
CID 11708103
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-amino-2-phenylbut-3-yn-1-ol
CID 172719961

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-phenylbut-3-yn-2-ol?
The IUPAC name of 1-(dimethylamino)-2-phenylbut-3-yn-2-ol (CID 10442495) is 1-(dimethylamino)-2-phenylbut-3-yn-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-phenylbut-3-yn-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-phenylbut-3-yn-2-ol is C#CC(O)(CN(C)C)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-2-phenylbut-3-yn-2-ol?
The InChIKey is DWIVLQJCSVWDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h1,5-9,14H,10H2,2-3H3.
What are the key properties of 1-(dimethylamino)-2-phenylbut-3-yn-2-ol?
1-(dimethylamino)-2-phenylbut-3-yn-2-ol has a molecular weight of 189.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-phenylbut-3-yn-2-ol is sourced from PubChem (CID 10442495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).