2-amino-2-phenylbut-3-yn-1-ol

C10H11NO — CID 172719961

IUPAC2-amino-2-phenylbut-3-yn-1-ol
SMILESC#CC(N)(CO)c1ccccc1
InChIInChI=1S/C10H11NO/c1-2-10(11,8-12)9-6-4-3-5-7-9/h1,3-7,12H,8,11H2
InChIKeyGJHSWCDDQYCCJA-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-2-phenylbut-3-yn-1-ol

2-amino-2-phenylbut-3-yn-1-ol (PubChem CID 172719961) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-amino-2-phenylbut-3-yn-1-ol.

Molecular Properties

Compound Name2-amino-2-phenylbut-3-yn-1-ol
PubChem CID172719961
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-amino-2-phenylbut-3-yn-1-ol
SMILESC#CC(N)(CO)c1ccccc1
InChIInChI=1S/C10H11NO/c1-2-10(11,8-12)9-6-4-3-5-7-9/h1,3-7,12H,8,11H2
InChIKeyGJHSWCDDQYCCJA-UHFFFAOYSA-N
XLogP0.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
2,2-diphenylbut-3-ynamide
CID 102000055
2-amino-2-phenylpentan-1-ol
CID 61056433
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
1-cyclopentyl-1-phenylprop-2-yn-1-amine
CID 171097737
2-amino-2-phenylpent-4-en-1-ol
CID 10464867
[(3S)-3-methylpent-1-yn-3-yl]benzene
CID 11708103
2-(hydroxymethyl)-2-phenylpropane-1,3-diol;isocyanic acid
CID 175313364
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
1,1-diphenylpropane-1,2,2,3-tetrol
CID 54396902
CID 10757753
CID 10757753

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylbut-3-yn-1-ol?
The IUPAC name of 2-amino-2-phenylbut-3-yn-1-ol (CID 172719961) is 2-amino-2-phenylbut-3-yn-1-ol.
What is the SMILES notation for 2-amino-2-phenylbut-3-yn-1-ol?
The canonical SMILES for 2-amino-2-phenylbut-3-yn-1-ol is C#CC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylbut-3-yn-1-ol?
The InChIKey is GJHSWCDDQYCCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-10(11,8-12)9-6-4-3-5-7-9/h1,3-7,12H,8,11H2.
What are the key properties of 2-amino-2-phenylbut-3-yn-1-ol?
2-amino-2-phenylbut-3-yn-1-ol has a molecular weight of 161.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylbut-3-yn-1-ol is sourced from PubChem (CID 172719961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).