1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone

C14H21NO3 — CID 79600850

IUPAC1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone
SMILESCCN(c1ccc(C(C)=O)c(O)c1)C(C)COC
InChIInChI=1S/C14H21NO3/c1-5-15(10(2)9-18-4)12-6-7-13(11(3)16)14(17)8-12/h6-8,10,17H,5,9H2,1-4H3
InChIKeyJOWSOBUGHPWYLA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.46
Rot. Bonds6

About 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone

1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone (PubChem CID 79600850) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone
PubChem CID79600850
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone
SMILESCCN(c1ccc(C(C)=O)c(O)c1)C(C)COC
InChIInChI=1S/C14H21NO3/c1-5-15(10(2)9-18-4)12-6-7-13(11(3)16)14(17)8-12/h6-8,10,17H,5,9H2,1-4H3
InChIKeyJOWSOBUGHPWYLA-UHFFFAOYSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 104500467
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002388
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
4-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)aniline
CID 107082173
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
4-[ethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55008853
1-[2-amino-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
CID 104528635
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
CID 103187601
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
CID 63785848

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone (CID 79600850) is 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone is CCN(c1ccc(C(C)=O)c(O)c1)C(C)COC.
What is the InChIKey of 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone?
The InChIKey is JOWSOBUGHPWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-15(10(2)9-18-4)12-6-7-13(11(3)16)14(17)8-12/h6-8,10,17H,5,9H2,1-4H3.
What are the key properties of 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone?
1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 79600850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).