4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol

C16H15NO — CID 139257900

IUPAC4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H15NO/c1-16(18,14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h2-10,18H,17H2,1H3
InChIKeyBAPJXOHGTAIUKT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.53
Rot. Bonds1

About 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol

4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol (PubChem CID 139257900) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol
PubChem CID139257900
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H15NO/c1-16(18,14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h2-10,18H,17H2,1H3
InChIKeyBAPJXOHGTAIUKT-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tris(p-aminophenyl)methanol
CID 10084
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
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3-(4-Aminophenyl)-1-(4-methylphenyl)propan-1-ol
CID 4313746
2-Aminobenzhydrol
CID 270810
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
2-(4-Aminophenyl)propan-2-ol
CID 9543261
2-Amino-alpha-methylbenzenemethanol
CID 112058
(3-Aminophenyl)(phenyl)methanol
CID 292403
2'-Aminobiphenyl-2-ol
CID 1207248
2'-Amino(1,1'-biphenyl)-4-ol
CID 14048637
4,4'-Diaminotrityl alcohol
CID 92637
1-(2-Amino-5-chlorophenyl)-1-phenylethanol
CID 102944

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol?
The IUPAC name of 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol (CID 139257900) is 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol.
What is the SMILES notation for 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol?
The canonical SMILES for 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol is CC(O)(C#Cc1ccccc1N)c1ccccc1.
What is the InChIKey of 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol?
The InChIKey is BAPJXOHGTAIUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-16(18,14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h2-10,18H,17H2,1H3.
What are the key properties of 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol?
4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol has a molecular weight of 237.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-2-phenylbut-3-yn-2-ol is sourced from PubChem (CID 139257900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).