2-amino-1-(2-ethoxyphenyl)butan-1-one

C12H17NO2 — CID 116583912

IUPAC2-amino-1-(2-ethoxyphenyl)butan-1-one
SMILESCCOc1ccccc1C(=O)C(N)CC
InChIInChI=1S/C12H17NO2/c1-3-10(13)12(14)9-7-5-6-8-11(9)15-4-2/h5-8,10H,3-4,13H2,1-2H3
InChIKeyNNNVLGGUONPUAC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.01
Rot. Bonds5

About 2-amino-1-(2-ethoxyphenyl)butan-1-one

2-amino-1-(2-ethoxyphenyl)butan-1-one (PubChem CID 116583912) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-(2-ethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethoxyphenyl)butan-1-one
PubChem CID116583912
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-(2-ethoxyphenyl)butan-1-one
SMILESCCOc1ccccc1C(=O)C(N)CC
InChIInChI=1S/C12H17NO2/c1-3-10(13)12(14)9-7-5-6-8-11(9)15-4-2/h5-8,10H,3-4,13H2,1-2H3
InChIKeyNNNVLGGUONPUAC-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
ethyl 2-(2-ethoxybenzoyl)pentanoate
CID 83043540
2-(aminomethyl)-1-(2-ethoxyphenyl)-3-methylbutan-1-one
CID 116573817
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoyl bromide
CID 19426336
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethoxyphenyl)butan-1-one?
The IUPAC name of 2-amino-1-(2-ethoxyphenyl)butan-1-one (CID 116583912) is 2-amino-1-(2-ethoxyphenyl)butan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethoxyphenyl)butan-1-one?
The canonical SMILES for 2-amino-1-(2-ethoxyphenyl)butan-1-one is CCOc1ccccc1C(=O)C(N)CC.
What is the InChIKey of 2-amino-1-(2-ethoxyphenyl)butan-1-one?
The InChIKey is NNNVLGGUONPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10(13)12(14)9-7-5-6-8-11(9)15-4-2/h5-8,10H,3-4,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-ethoxyphenyl)butan-1-one?
2-amino-1-(2-ethoxyphenyl)butan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethoxyphenyl)butan-1-one is sourced from PubChem (CID 116583912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).