2-amino-4-phenylbut-3-yn-2-ol

C10H11NO — CID 143801475

IUPAC2-amino-4-phenylbut-3-yn-2-ol
SMILESCC(N)(O)C#Cc1ccccc1
InChIInChI=1S/C10H11NO/c1-10(11,12)8-7-9-5-3-2-4-6-9/h2-6,12H,11H2,1H3
InChIKeyNMSUZFQDBNPDIP-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.71
Rot. Bonds

About 2-amino-4-phenylbut-3-yn-2-ol

2-amino-4-phenylbut-3-yn-2-ol (PubChem CID 143801475) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-amino-4-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-amino-4-phenylbut-3-yn-2-ol
PubChem CID143801475
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-amino-4-phenylbut-3-yn-2-ol
SMILESCC(N)(O)C#Cc1ccccc1
InChIInChI=1S/C10H11NO/c1-10(11,12)8-7-9-5-3-2-4-6-9/h2-6,12H,11H2,1H3
InChIKeyNMSUZFQDBNPDIP-UHFFFAOYSA-N
XLogP0.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol
CID 12977900
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
CID 11289604
2-methyl-1-(4-methylphenyl)-4-phenylbut-3-yn-2-ol
CID 11680385
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
3,3-dimethoxybut-1-ynylbenzene
CID 14492597
3-hydroxy-2,2-dimethyl-3,5-diphenylpent-4-ynoic acid
CID 102106699
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
CID 40500418
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylbut-3-yn-2-ol?
The IUPAC name of 2-amino-4-phenylbut-3-yn-2-ol (CID 143801475) is 2-amino-4-phenylbut-3-yn-2-ol.
What is the SMILES notation for 2-amino-4-phenylbut-3-yn-2-ol?
The canonical SMILES for 2-amino-4-phenylbut-3-yn-2-ol is CC(N)(O)C#Cc1ccccc1.
What is the InChIKey of 2-amino-4-phenylbut-3-yn-2-ol?
The InChIKey is NMSUZFQDBNPDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-10(11,12)8-7-9-5-3-2-4-6-9/h2-6,12H,11H2,1H3.
What are the key properties of 2-amino-4-phenylbut-3-yn-2-ol?
2-amino-4-phenylbut-3-yn-2-ol has a molecular weight of 161.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylbut-3-yn-2-ol is sourced from PubChem (CID 143801475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).