1-(2-amino-3-ethoxyphenyl)propan-2-one

C11H15NO2 — CID 118841297

IUPAC1-(2-amino-3-ethoxyphenyl)propan-2-one
SMILESCCOc1cccc(CC(C)=O)c1N
InChIInChI=1S/C11H15NO2/c1-3-14-10-6-4-5-9(11(10)12)7-8(2)13/h4-6H,3,7,12H2,1-2H3
InChIKeyNABCCESDGLXEGJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.80
Rot. Bonds4

About 1-(2-amino-3-ethoxyphenyl)propan-2-one

1-(2-amino-3-ethoxyphenyl)propan-2-one (PubChem CID 118841297) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-amino-3-ethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-3-ethoxyphenyl)propan-2-one
PubChem CID118841297
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2-amino-3-ethoxyphenyl)propan-2-one
SMILESCCOc1cccc(CC(C)=O)c1N
InChIInChI=1S/C11H15NO2/c1-3-14-10-6-4-5-9(11(10)12)7-8(2)13/h4-6H,3,7,12H2,1-2H3
InChIKeyNABCCESDGLXEGJ-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.80
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

1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
2-amino-3-ethoxybenzamide
CID 70121071
1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
1-(2-amino-3-fluorophenyl)propan-2-one
CID 59383493
2-ethoxyaniline;propan-2-one
CID 517004
(2-amino-3-ethoxyphenyl)boronic acid
CID 68788606
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118995862
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
1-(2-butoxyphenyl)propan-2-one
CID 82161473
ethyl 3-ethoxy-4-(2-oxopropyl)benzoate
CID 134642967
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-ethoxyphenyl)propan-2-one?
The IUPAC name of 1-(2-amino-3-ethoxyphenyl)propan-2-one (CID 118841297) is 1-(2-amino-3-ethoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2-amino-3-ethoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2-amino-3-ethoxyphenyl)propan-2-one is CCOc1cccc(CC(C)=O)c1N.
What is the InChIKey of 1-(2-amino-3-ethoxyphenyl)propan-2-one?
The InChIKey is NABCCESDGLXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-10-6-4-5-9(11(10)12)7-8(2)13/h4-6H,3,7,12H2,1-2H3.
What are the key properties of 1-(2-amino-3-ethoxyphenyl)propan-2-one?
1-(2-amino-3-ethoxyphenyl)propan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-ethoxyphenyl)propan-2-one is sourced from PubChem (CID 118841297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).