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

C13H19NO2 — CID 83987894

IUPAC1-(2-amino-5-ethoxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(OCC)ccc1N
InChIInChI=1S/C13H19NO2/c1-3-5-6-13(15)11-9-10(16-4-2)7-8-12(11)14/h7-9H,3-6,14H2,1-2H3
InChIKeySMYJQRJVERWFTD-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.04
Rot. Bonds6

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

1-(2-amino-5-ethoxyphenyl)pentan-1-one (PubChem CID 83987894) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-amino-5-ethoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-ethoxyphenyl)pentan-1-one
PubChem CID83987894
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-amino-5-ethoxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(OCC)ccc1N
InChIInChI=1S/C13H19NO2/c1-3-5-6-13(15)11-9-10(16-4-2)7-8-12(11)14/h7-9H,3-6,14H2,1-2H3
InChIKeySMYJQRJVERWFTD-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.04
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)butan-1-one
CID 83987893
1-[2-amino-5-(trifluoromethoxy)phenyl]pentan-1-one
CID 83988078
1-(2-amino-5-propoxyphenyl)butan-1-one
CID 112541199
1-(4-amino-3-pentanoylphenyl)pentan-1-one
CID 101270148
1,8-bis(5-ethoxy-2-hydroxyphenyl)octane-1,8-dione
CID 3348725
2-amino-5-heptoxybenzoic acid
CID 54888058
1-(2-amino-5-phenylphenyl)pentan-1-one
CID 83988023
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-butoxyethoxy)benzamide
CID 61307409
5-(4-ethoxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264480
4-chloro-1-(2-chloro-4-ethoxyphenyl)butan-1-one
CID 82267613

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethoxyphenyl)pentan-1-one?
The IUPAC name of 1-(2-amino-5-ethoxyphenyl)pentan-1-one (CID 83987894) is 1-(2-amino-5-ethoxyphenyl)pentan-1-one.
What is the SMILES notation for 1-(2-amino-5-ethoxyphenyl)pentan-1-one?
The canonical SMILES for 1-(2-amino-5-ethoxyphenyl)pentan-1-one is CCCCC(=O)c1cc(OCC)ccc1N.
What is the InChIKey of 1-(2-amino-5-ethoxyphenyl)pentan-1-one?
The InChIKey is SMYJQRJVERWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-6-13(15)11-9-10(16-4-2)7-8-12(11)14/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 1-(2-amino-5-ethoxyphenyl)pentan-1-one?
1-(2-amino-5-ethoxyphenyl)pentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 3.04, 6 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)pentan-1-one is sourced from PubChem (CID 83987894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).