4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol

C14H19NO2 — CID 65322572

IUPAC4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
SMILESCOc1ccc(C#CCCO)c(CN(C)C)c1
InChIInChI=1S/C14H19NO2/c1-15(2)11-13-10-14(17-3)8-7-12(13)6-4-5-9-16/h7-8,10,16H,5,9,11H2,1-3H3
InChIKeyZHUPJQVABIDGEW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.49
Rot. Bonds4

About 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol

4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol (PubChem CID 65322572) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
PubChem CID65322572
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
SMILESCOc1ccc(C#CCCO)c(CN(C)C)c1
InChIInChI=1S/C14H19NO2/c1-15(2)11-13-10-14(17-3)8-7-12(13)6-4-5-9-16/h7-8,10,16H,5,9,11H2,1-3H3
InChIKeyZHUPJQVABIDGEW-UHFFFAOYSA-N
XLogP1.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.49
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

4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 65322187
1-[[2-(4-hydroxybut-1-ynyl)-5-methoxyphenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379703
4-[4-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 115987090
4-[4-methoxy-2-(propoxymethyl)phenyl]but-3-yn-1-ol
CID 65323564
4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323848
4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol
CID 65323850
4-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]but-3-yn-1-ol
CID 65322757
4-[4-methoxy-2-(2-methylbutylsulfanylmethyl)phenyl]but-3-yn-1-ol
CID 107754544
4-[2-(imidazol-1-ylmethyl)-4-methoxyphenyl]but-3-yn-1-ol
CID 65323683
4-[4-methoxy-2-[(5-methylpyrazol-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 65323694
4-[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323992
4-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]but-3-yn-1-ol
CID 65323507

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol (CID 65322572) is 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol is COc1ccc(C#CCCO)c(CN(C)C)c1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol?
The InChIKey is ZHUPJQVABIDGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)11-13-10-14(17-3)8-7-12(13)6-4-5-9-16/h7-8,10,16H,5,9,11H2,1-3H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol?
4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol is sourced from PubChem (CID 65322572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).