4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol

C16H23NO2 — CID 65322187

IUPAC4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCOc1ccc(C#CCCO)c(CN(C)C(C)C)c1
InChIInChI=1S/C16H23NO2/c1-13(2)17(3)12-15-11-16(19-4)9-8-14(15)7-5-6-10-18/h8-9,11,13,18H,6,10,12H2,1-4H3
InChIKeyJDLYOUKEHHDSDV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.27
Rot. Bonds5

About 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol

4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol (PubChem CID 65322187) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
PubChem CID65322187
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCOc1ccc(C#CCCO)c(CN(C)C(C)C)c1
InChIInChI=1S/C16H23NO2/c1-13(2)17(3)12-15-11-16(19-4)9-8-14(15)7-5-6-10-18/h8-9,11,13,18H,6,10,12H2,1-4H3
InChIKeyJDLYOUKEHHDSDV-UHFFFAOYSA-N
XLogP2.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 115987090
4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
CID 65322572
1-[[2-(4-hydroxybut-1-ynyl)-5-methoxyphenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379703
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-[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
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N,4-dimethylpentan-2-amine
CID 65325215
3-[4-methoxy-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 82938802
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol (CID 65322187) is 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol is COc1ccc(C#CCCO)c(CN(C)C(C)C)c1.
What is the InChIKey of 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is JDLYOUKEHHDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)17(3)12-15-11-16(19-4)9-8-14(15)7-5-6-10-18/h8-9,11,13,18H,6,10,12H2,1-4H3.
What are the key properties of 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 65322187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).