4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol

C15H21NO2 — CID 54970325

IUPAC4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCOCCN(C)Cc1cccc(C#CCCO)c1
InChIInChI=1S/C15H21NO2/c1-16(9-11-18-2)13-15-8-5-7-14(12-15)6-3-4-10-17/h5,7-8,12,17H,4,9-11,13H2,1-2H3
InChIKeyAQDHNQPNZMFJRL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.50
Rot. Bonds6

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

4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol (PubChem CID 54970325) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
PubChem CID54970325
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCOCCN(C)Cc1cccc(C#CCCO)c1
InChIInChI=1S/C15H21NO2/c1-16(9-11-18-2)13-15-8-5-7-14(12-15)6-3-4-10-17/h5,7-8,12,17H,4,9-11,13H2,1-2H3
InChIKeyAQDHNQPNZMFJRL-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-[[2-methoxyethyl(methyl)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-[3-[[methyl(propyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969699
1-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-1,3,3-trimethylurea
CID 79154096
4-[3-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969690
4-[3-(diethylaminomethyl)phenyl]but-3-yn-1-ol
CID 54969736
1-ethyl-3-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-1,3-dimethylurea
CID 79162479
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]benzonitrile
CID 104563017
4-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 81061615
4-[3-[[cyclopropyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969840
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 54993979
4-[3-fluoro-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 79703818
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
3-cyclobutyl-1-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-1-methylurea
CID 116658755

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol (CID 54970325) is 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol is COCCN(C)Cc1cccc(C#CCCO)c1.
What is the InChIKey of 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is AQDHNQPNZMFJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(9-11-18-2)13-15-8-5-7-14(12-15)6-3-4-10-17/h5,7-8,12,17H,4,9-11,13H2,1-2H3.
What are the key properties of 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol?
4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 54970325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).