1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone

C13H19NO2 — CID 159309537

IUPAC1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(NCC(C)(C)C)cc1O
InChIInChI=1S/C13H19NO2/c1-9(15)11-6-5-10(7-12(11)16)14-8-13(2,3)4/h5-7,14,16H,8H2,1-4H3
InChIKeyMHQQVJBTTFLECW-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone

1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone (PubChem CID 159309537) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone
PubChem CID159309537
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(NCC(C)(C)C)cc1O
InChIInChI=1S/C13H19NO2/c1-9(15)11-6-5-10(7-12(11)16)14-8-13(2,3)4/h5-7,14,16H,8H2,1-4H3
InChIKeyMHQQVJBTTFLECW-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CID 79878
2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid
CID 1910825
4-(Diethylamino)-2-hydroxybenzaldehyde
CID 87293
4-Acetamidosalicylic acid
CID 65509
Hydroxytetracaine
CID 71630
1-(2-Hydroxy-4-morpholin-4-ylphenyl)ethanone
CID 9859309
Methyl 4-acetamidosalicylate
CID 77719
4-(Dimethylamino)-2-hydroxybenzaldehyde
CID 9815305
4-(Benzoylamino)-2-hydroxybenzoic acid
CID 10718
2-hydroxy-N-(4-methylphenyl)benzamide
CID 478805
4-(Dimethylamino)salicylic acid
CID 89978
DNA-PK inhibitor V
CID 16760391

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone (CID 159309537) is 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(NCC(C)(C)C)cc1O.
What is the InChIKey of 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone?
The InChIKey is MHQQVJBTTFLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(15)11-6-5-10(7-12(11)16)14-8-13(2,3)4/h5-7,14,16H,8H2,1-4H3.
What are the key properties of 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone?
1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropylamino)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 159309537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).