2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol

C14H19NO2 — CID 111461930

IUPAC2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCC#CCN(CCO)Cc1ccccc1OC
InChIInChI=1S/C14H19NO2/c1-3-4-9-15(10-11-16)12-13-7-5-6-8-14(13)17-2/h5-8,16H,9-12H2,1-2H3
InChIKeyUVDMXKHNVZAHES-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.51
Rot. Bonds6

About 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol

2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol (PubChem CID 111461930) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol
PubChem CID111461930
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCC#CCN(CCO)Cc1ccccc1OC
InChIInChI=1S/C14H19NO2/c1-3-4-9-15(10-11-16)12-13-7-5-6-8-14(13)17-2/h5-8,16H,9-12H2,1-2H3
InChIKeyUVDMXKHNVZAHES-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.51
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

2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 110932771
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 120751171
2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932185
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 110932227
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009

Frequently Asked Questions

What is the IUPAC name of 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol (CID 111461930) is 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol is CC#CCN(CCO)Cc1ccccc1OC.
What is the InChIKey of 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is UVDMXKHNVZAHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-9-15(10-11-16)12-13-7-5-6-8-14(13)17-2/h5-8,16H,9-12H2,1-2H3.
What are the key properties of 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol?
2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 111461930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).