1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone

C13H19NO3 — CID 62052414

IUPAC1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone
SMILESCCN(CCO)Cc1cc(C(C)=O)ccc1O
InChIInChI=1S/C13H19NO3/c1-3-14(6-7-15)9-12-8-11(10(2)16)4-5-13(12)17/h4-5,8,15,17H,3,6-7,9H2,1-2H3
InChIKeyGVDWQAZOEGRUFL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.41
Rot. Bonds6

About 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone

1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone (PubChem CID 62052414) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone
PubChem CID62052414
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone
SMILESCCN(CCO)Cc1cc(C(C)=O)ccc1O
InChIInChI=1S/C13H19NO3/c1-3-14(6-7-15)9-12-8-11(10(2)16)4-5-13(12)17/h4-5,8,15,17H,3,6-7,9H2,1-2H3
InChIKeyGVDWQAZOEGRUFL-UHFFFAOYSA-N
XLogP1.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[ethyl(2-methylpropyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 43788374
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
methyl 4-chloro-3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoate
CID 110027527
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
3-[(5-acetyl-2-ethoxyphenyl)methyl-ethylamino]propanoic acid
CID 61009502
3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 102669675
4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
CID 62021395
1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609
4-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]methyl]-5-methyldithiole-3-thione
CID 139658026
sodium;2-[2-[carboxymethyl-[(2-hydroxy-5-methylphenyl)methyl]amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 170846192
3-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]propanoic acid
CID 107701775
4-amino-2-[[3-(diethylamino)propyl-ethylamino]methyl]phenol
CID 102991610

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone (CID 62052414) is 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone is CCN(CCO)Cc1cc(C(C)=O)ccc1O.
What is the InChIKey of 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
The InChIKey is GVDWQAZOEGRUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14(6-7-15)9-12-8-11(10(2)16)4-5-13(12)17/h4-5,8,15,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 62052414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).