1-(2-amino-5-ethoxyphenyl)butan-1-one

C12H17NO2 — CID 83987893

IUPAC1-(2-amino-5-ethoxyphenyl)butan-1-one
SMILESCCCC(=O)c1cc(OCC)ccc1N
InChIInChI=1S/C12H17NO2/c1-3-5-12(14)10-8-9(15-4-2)6-7-11(10)13/h6-8H,3-5,13H2,1-2H3
InChIKeyHFGQDFZJVMESDZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-amino-5-ethoxyphenyl)butan-1-one

1-(2-amino-5-ethoxyphenyl)butan-1-one (PubChem CID 83987893) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-amino-5-ethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-ethoxyphenyl)butan-1-one
PubChem CID83987893
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-amino-5-ethoxyphenyl)butan-1-one
SMILESCCCC(=O)c1cc(OCC)ccc1N
InChIInChI=1S/C12H17NO2/c1-3-5-12(14)10-8-9(15-4-2)6-7-11(10)13/h6-8H,3-5,13H2,1-2H3
InChIKeyHFGQDFZJVMESDZ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-amino-5-ethoxyphenyl)pentan-1-one
CID 83987894
1-(2-amino-5-propoxyphenyl)butan-1-one
CID 112541199
2-amino-5-propoxybenzoic acid
CID 12719187
1-[2-amino-5-(trifluoromethoxy)phenyl]pentan-1-one
CID 83988078
1,8-bis(5-ethoxy-2-hydroxyphenyl)octane-1,8-dione
CID 3348725
3-bromo-1-(5-ethoxy-2-methoxyphenyl)propan-1-one
CID 134625052
2-amino-5-heptoxybenzoic acid
CID 54888058
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
(4-amino-3-propanoylphenyl) propanoate
CID 54010386
(4-amino-3-methylphenyl) butanoate
CID 70345434
formic acid;1-(2,4,5-triethoxyphenyl)butan-1-one
CID 166142099

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethoxyphenyl)butan-1-one?
The IUPAC name of 1-(2-amino-5-ethoxyphenyl)butan-1-one (CID 83987893) is 1-(2-amino-5-ethoxyphenyl)butan-1-one.
What is the SMILES notation for 1-(2-amino-5-ethoxyphenyl)butan-1-one?
The canonical SMILES for 1-(2-amino-5-ethoxyphenyl)butan-1-one is CCCC(=O)c1cc(OCC)ccc1N.
What is the InChIKey of 1-(2-amino-5-ethoxyphenyl)butan-1-one?
The InChIKey is HFGQDFZJVMESDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-5-12(14)10-8-9(15-4-2)6-7-11(10)13/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 1-(2-amino-5-ethoxyphenyl)butan-1-one?
1-(2-amino-5-ethoxyphenyl)butan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-ethoxyphenyl)butan-1-one is sourced from PubChem (CID 83987893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).