3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol

C14H19NO3 — CID 104706556

IUPAC3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCCN(C)C)c(C#CCO)c1
InChIInChI=1S/C14H19NO3/c1-15(2)8-10-18-14-7-6-13(17-3)11-12(14)5-4-9-16/h6-7,11,16H,8-10H2,1-3H3
InChIKeyUCIKBYLBLQLRDY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds5

About 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol

3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol (PubChem CID 104706556) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol
PubChem CID104706556
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCCN(C)C)c(C#CCO)c1
InChIInChI=1S/C14H19NO3/c1-15(2)8-10-18-14-7-6-13(17-3)11-12(14)5-4-9-16/h6-7,11,16H,8-10H2,1-3H3
InChIKeyUCIKBYLBLQLRDY-UHFFFAOYSA-N
XLogP0.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706465
3-[2-(2,2-difluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706494
3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol
CID 104706560
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
CID 22996186
3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706926
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
2-[2-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]acetic acid
CID 169485688
3-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104706985
1-[2-[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]ethyl]piperidine
CID 104706668
3-[5-(3-hydroxyprop-1-ynyl)-2,4-dimethoxyphenyl]prop-2-yn-1-ol
CID 71346014
2-(3-chloroprop-1-ynyl)-4-methoxy-1-[2-(2-methylpropoxy)ethoxy]benzene
CID 106455497

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol (CID 104706556) is 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol is COc1ccc(OCCN(C)C)c(C#CCO)c1.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol?
The InChIKey is UCIKBYLBLQLRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(2)8-10-18-14-7-6-13(17-3)11-12(14)5-4-9-16/h6-7,11,16H,8-10H2,1-3H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol?
3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol has a molecular weight of 249.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 104706556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).