1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone

C14H21NO3 — CID 60683609

IUPAC1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CCO
InChIInChI=1S/C14H21NO3/c1-4-18-14-6-5-12(11(2)17)9-13(14)10-15(3)7-8-16/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyRPYUQORACARWEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.71
Rot. Bonds7

About 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone

1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone (PubChem CID 60683609) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
PubChem CID60683609
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CCO
InChIInChI=1S/C14H21NO3/c1-4-18-14-6-5-12(11(2)17)9-13(14)10-15(3)7-8-16/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyRPYUQORACARWEM-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
methyl 3-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]propanoate
CID 62012473
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
CID 43442595
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 112812859
3-[(5-acetyl-2-ethoxyphenyl)methyl-ethylamino]propanoic acid
CID 61009502
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252847
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
1-[3-[[azetidin-3-yl(ethyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 66182584
N-[(5-acetyl-2-ethoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787896
1-[4-ethoxy-3-(3-hydroxybutan-2-ylsulfanylmethyl)phenyl]ethanone
CID 103705798
1-[3-(tert-butylsulfonylmethyl)-4-ethoxyphenyl]ethanone
CID 64642742

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone (CID 60683609) is 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1CN(C)CCO.
What is the InChIKey of 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone?
The InChIKey is RPYUQORACARWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-14-6-5-12(11(2)17)9-13(14)10-15(3)7-8-16/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone?
1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 60683609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).