2-(but-2-ynylamino)-2-phenylethanol

C12H15NO — CID 63183049

IUPAC2-(but-2-ynylamino)-2-phenylethanol
SMILESCC#CCNC(CO)c1ccccc1
InChIInChI=1S/C12H15NO/c1-2-3-9-13-12(10-14)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1H3
InChIKeyVWPGGGHACLJCQO-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.33
Rot. Bonds4

About 2-(but-2-ynylamino)-2-phenylethanol

2-(but-2-ynylamino)-2-phenylethanol (PubChem CID 63183049) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(but-2-ynylamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(but-2-ynylamino)-2-phenylethanol
PubChem CID63183049
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(but-2-ynylamino)-2-phenylethanol
SMILESCC#CCNC(CO)c1ccccc1
InChIInChI=1S/C12H15NO/c1-2-3-9-13-12(10-14)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1H3
InChIKeyVWPGGGHACLJCQO-UHFFFAOYSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.33
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

N-(2-hydroxy-1-phenylethyl)but-2-ynamide
CID 106741644
2-(2-methylhept-4-ynylamino)-2-phenylethanol
CID 175342151
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
2-(hydroxyamino)-2-phenylethanol
CID 12782000
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
CID 24741569
(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
CID 86786798
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol
CID 114010183
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737

Frequently Asked Questions

What is the IUPAC name of 2-(but-2-ynylamino)-2-phenylethanol?
The IUPAC name of 2-(but-2-ynylamino)-2-phenylethanol (CID 63183049) is 2-(but-2-ynylamino)-2-phenylethanol.
What is the SMILES notation for 2-(but-2-ynylamino)-2-phenylethanol?
The canonical SMILES for 2-(but-2-ynylamino)-2-phenylethanol is CC#CCNC(CO)c1ccccc1.
What is the InChIKey of 2-(but-2-ynylamino)-2-phenylethanol?
The InChIKey is VWPGGGHACLJCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-3-9-13-12(10-14)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1H3.
What are the key properties of 2-(but-2-ynylamino)-2-phenylethanol?
2-(but-2-ynylamino)-2-phenylethanol has a molecular weight of 189.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-ynylamino)-2-phenylethanol is sourced from PubChem (CID 63183049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).