2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol

C14H19NO — CID 76605629

IUPAC2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol
SMILESC#CCN(CCO)C(C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-9-15(10-11-16)13(2)12-14-7-5-4-6-8-14/h1,4-8,13,16H,9-12H2,2H3
InChIKeyXJKUSPIAHHMSAI-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.55
Rot. Bonds6

About 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol

2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol (PubChem CID 76605629) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol
PubChem CID76605629
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol
SMILESC#CCN(CCO)C(C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-9-15(10-11-16)13(2)12-14-7-5-4-6-8-14/h1,4-8,13,16H,9-12H2,2H3
InChIKeyXJKUSPIAHHMSAI-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.55
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

(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
N-[(2S)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamoyl chloride
CID 10823679
[(2R)-2-[prop-2-ynyl(sulfino)amino]propyl]benzene
CID 175784116
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
bis(1,1-dideuterio-N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine);hydrochloride
CID 159530490
4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol
CID 67671907
2-[1-aminoethyl(2-phenylethyl)amino]ethanol
CID 174769140
pyridin-4-yl N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 10756211

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol?
The IUPAC name of 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol (CID 76605629) is 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol.
What is the SMILES notation for 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol?
The canonical SMILES for 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol is C#CCN(CCO)C(C)Cc1ccccc1.
What is the InChIKey of 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol?
The InChIKey is XJKUSPIAHHMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-9-15(10-11-16)13(2)12-14-7-5-4-6-8-14/h1,4-8,13,16H,9-12H2,2H3.
What are the key properties of 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol?
2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol has a molecular weight of 217.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol is sourced from PubChem (CID 76605629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).