4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one

C13H19NO2 — CID 116596464

IUPAC4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
SMILESCCOc1ccc(C(=O)CC(C)CN)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-12-6-4-11(5-7-12)13(15)8-10(2)9-14/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyMAOZAJCLFFWVCC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds6

About 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one

4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one (PubChem CID 116596464) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
PubChem CID116596464
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
SMILESCCOc1ccc(C(=O)CC(C)CN)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-12-6-4-11(5-7-12)13(15)8-10(2)9-14/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyMAOZAJCLFFWVCC-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-methylpentan-1-one
CID 13257676
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 115156367
tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate
CID 83224734
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone
CID 116590820
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
3-(4-ethoxyphenyl)-4-methylpentanamide
CID 112508295
2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone
CID 64643547

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one (CID 116596464) is 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one is CCOc1ccc(C(=O)CC(C)CN)cc1.
What is the InChIKey of 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one?
The InChIKey is MAOZAJCLFFWVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-12-6-4-11(5-7-12)13(15)8-10(2)9-14/h4-7,10H,3,8-9,14H2,1-2H3.
What are the key properties of 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one?
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 116596464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).