1-(5-amino-2-propan-2-yloxyphenyl)ethanone

C11H15NO2 — CID 70224609

IUPAC1-(5-amino-2-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cc(N)ccc1OC(C)C
InChIInChI=1S/C11H15NO2/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,12H2,1-3H3
InChIKeySJCXGSPWKMYHPY-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.26
Rot. Bonds3

About 1-(5-amino-2-propan-2-yloxyphenyl)ethanone

1-(5-amino-2-propan-2-yloxyphenyl)ethanone (PubChem CID 70224609) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(5-amino-2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-propan-2-yloxyphenyl)ethanone
PubChem CID70224609
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(5-amino-2-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cc(N)ccc1OC(C)C
InChIInChI=1S/C11H15NO2/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,12H2,1-3H3
InChIKeySJCXGSPWKMYHPY-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
CID 116540885
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
4-amino-2-propan-2-yloxybenzamide
CID 53495725
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-(2-acetyl-4-aminophenyl)-2-methylpropan-1-one
CID 177054609
3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
CID 116540898
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
methyl (2S)-2-(2-acetyl-4-bromophenoxy)propanoate
CID 94158655
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
CID 106955759
5-amino-2-[1-(1-methylpiperidin-4-yl)ethoxy]benzoic acid
CID 117096068

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(5-amino-2-propan-2-yloxyphenyl)ethanone (CID 70224609) is 1-(5-amino-2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-propan-2-yloxyphenyl)ethanone is CC(=O)c1cc(N)ccc1OC(C)C.
What is the InChIKey of 1-(5-amino-2-propan-2-yloxyphenyl)ethanone?
The InChIKey is SJCXGSPWKMYHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,12H2,1-3H3.
What are the key properties of 1-(5-amino-2-propan-2-yloxyphenyl)ethanone?
1-(5-amino-2-propan-2-yloxyphenyl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 70224609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).