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

C17H25NO2 — CID 63691389

IUPAC4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCCOCCN(CC)Cc1ccccc1C#CCCO
InChIInChI=1S/C17H25NO2/c1-3-18(12-14-20-4-2)15-17-11-6-5-9-16(17)10-7-8-13-19/h5-6,9,11,19H,3-4,8,12-15H2,1-2H3
InChIKeyCUUYCDJRSBOHGS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.28
Rot. Bonds8

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

4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol (PubChem CID 63691389) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
PubChem CID63691389
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCCOCCN(CC)Cc1ccccc1C#CCCO
InChIInChI=1S/C17H25NO2/c1-3-18(12-14-20-4-2)15-17-11-6-5-9-16(17)10-7-8-13-19/h5-6,9,11,19H,3-4,8,12-15H2,1-2H3
InChIKeyCUUYCDJRSBOHGS-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 82960795
3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide
CID 63246486
4-[2-(2,2-difluoroethoxymethyl)phenyl]but-3-yn-1-ol
CID 82006810
3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid
CID 63698086
N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61447355
4-[2-[[methyl(oxolan-3-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 82747869
4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
CID 54923470

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol (CID 63691389) is 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol is CCOCCN(CC)Cc1ccccc1C#CCCO.
What is the InChIKey of 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is CUUYCDJRSBOHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18(12-14-20-4-2)15-17-11-6-5-9-16(17)10-7-8-13-19/h5-6,9,11,19H,3-4,8,12-15H2,1-2H3.
What are the key properties of 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol?
4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 63691389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).