3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol

C14H19NO2 — CID 54970283

IUPAC3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
SMILESCCN(C)CCOc1ccc(C#CCO)cc1
InChIInChI=1S/C14H19NO2/c1-3-15(2)10-12-17-14-8-6-13(7-9-14)5-4-11-16/h6-9,16H,3,10-12H2,1-2H3
InChIKeyRZCIMTKBALAQNS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.36
Rot. Bonds5

About 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol

3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol (PubChem CID 54970283) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
PubChem CID54970283
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
SMILESCCN(C)CCOc1ccc(C#CCO)cc1
InChIInChI=1S/C14H19NO2/c1-3-15(2)10-12-17-14-8-6-13(7-9-14)5-4-11-16/h6-9,16H,3,10-12H2,1-2H3
InChIKeyRZCIMTKBALAQNS-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 115987091
3-[4-(ethoxymethoxy)phenyl]prop-2-yn-1-ol
CID 65369709
3-[4-(2-butoxyethoxy)phenyl]prop-2-yn-1-ol
CID 54956139
4-[4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]phenyl]but-3-yn-1-ol
CID 62337947
2-[2-[3-(3-hydroxyprop-1-ynyl)phenoxy]ethyl-methylamino]propan-1-ol
CID 104553956
3-[4-(2-pentylsulfanylethoxy)phenyl]prop-2-yn-1-ol
CID 107754504
1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
CID 79389368
3-[3-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 63865200
3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 64520625
[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
CID 171661609
2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride
CID 19869527
4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol (CID 54970283) is 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol is CCN(C)CCOc1ccc(C#CCO)cc1.
What is the InChIKey of 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is RZCIMTKBALAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15(2)10-12-17-14-8-6-13(7-9-14)5-4-11-16/h6-9,16H,3,10-12H2,1-2H3.
What are the key properties of 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54970283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).