2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone

C12H17NO2 — CID 82048712

IUPAC2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
SMILESCCOc1cc(C)c(C(=O)CN)cc1C
InChIInChI=1S/C12H17NO2/c1-4-15-12-6-8(2)10(5-9(12)3)11(14)7-13/h5-6H,4,7,13H2,1-3H3
InChIKeyYKEARWKYHCYWOR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds4

About 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone

2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone (PubChem CID 82048712) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
PubChem CID82048712
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
SMILESCCOc1cc(C)c(C(=O)CN)cc1C
InChIInChI=1S/C12H17NO2/c1-4-15-12-6-8(2)10(5-9(12)3)11(14)7-13/h5-6H,4,7,13H2,1-3H3
InChIKeyYKEARWKYHCYWOR-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162
2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide
CID 82116584
1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
CID 82053867
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
4-ethoxy-N-(2-hydroxyethyl)-2,5-dimethylbenzamide
CID 96661430
(Z)-2-(4-ethoxy-2,5-dimethylphenyl)but-2-enedioic acid
CID 82122325
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
2-chloro-1-(2,5-dimethyl-4-propoxyphenyl)ethanone
CID 82053559
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone (CID 82048712) is 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone is CCOc1cc(C)c(C(=O)CN)cc1C.
What is the InChIKey of 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone?
The InChIKey is YKEARWKYHCYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-12-6-8(2)10(5-9(12)3)11(14)7-13/h5-6H,4,7,13H2,1-3H3.
What are the key properties of 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone?
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 82048712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).