1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone

C12H17NO2 — CID 171034047

IUPAC1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone
SMILESCCOc1cc(C(C)=O)c(CC)cc1N
InChIInChI=1S/C12H17NO2/c1-4-9-6-11(13)12(15-5-2)7-10(9)8(3)14/h6-7H,4-5,13H2,1-3H3
InChIKeyXTPGPKMEWKQWRF-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone

1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone (PubChem CID 171034047) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone
PubChem CID171034047
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone
SMILESCCOc1cc(C(C)=O)c(CC)cc1N
InChIInChI=1S/C12H17NO2/c1-4-9-6-11(13)12(15-5-2)7-10(9)8(3)14/h6-7H,4-5,13H2,1-3H3
InChIKeyXTPGPKMEWKQWRF-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.43
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-[4-amino-5-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171026594
1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
CID 171033647
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone
CID 131311738
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
2-ethoxyaniline;propan-2-one
CID 517004
4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone?
The IUPAC name of 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone (CID 171034047) is 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone is CCOc1cc(C(C)=O)c(CC)cc1N.
What is the InChIKey of 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone?
The InChIKey is XTPGPKMEWKQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9-6-11(13)12(15-5-2)7-10(9)8(3)14/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone?
1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone is sourced from PubChem (CID 171034047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).