3-amino-1-(3-ethylphenyl)pentan-1-one

C13H19NO — CID 116609074

IUPAC3-amino-1-(3-ethylphenyl)pentan-1-one
SMILESCCc1cccc(C(=O)CC(N)CC)c1
InChIInChI=1S/C13H19NO/c1-3-10-6-5-7-11(8-10)13(15)9-12(14)4-2/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyNWZNDDUODFAJJN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-1-(3-ethylphenyl)pentan-1-one

3-amino-1-(3-ethylphenyl)pentan-1-one (PubChem CID 116609074) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-amino-1-(3-ethylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethylphenyl)pentan-1-one
PubChem CID116609074
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-amino-1-(3-ethylphenyl)pentan-1-one
SMILESCCc1cccc(C(=O)CC(N)CC)c1
InChIInChI=1S/C13H19NO/c1-3-10-6-5-7-11(8-10)13(15)9-12(14)4-2/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyNWZNDDUODFAJJN-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminopentanoyl)benzonitrile
CID 81463391
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
5-amino-1-(3-ethylphenyl)hexan-1-one
CID 116610152
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033
3-ethylbenzoic acid;propane
CID 177324794
1-(3-ethylphenyl)octan-1-one
CID 115788827

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethylphenyl)pentan-1-one?
The IUPAC name of 3-amino-1-(3-ethylphenyl)pentan-1-one (CID 116609074) is 3-amino-1-(3-ethylphenyl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethylphenyl)pentan-1-one?
The canonical SMILES for 3-amino-1-(3-ethylphenyl)pentan-1-one is CCc1cccc(C(=O)CC(N)CC)c1.
What is the InChIKey of 3-amino-1-(3-ethylphenyl)pentan-1-one?
The InChIKey is NWZNDDUODFAJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-10-6-5-7-11(8-10)13(15)9-12(14)4-2/h5-8,12H,3-4,9,14H2,1-2H3.
What are the key properties of 3-amino-1-(3-ethylphenyl)pentan-1-one?
3-amino-1-(3-ethylphenyl)pentan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethylphenyl)pentan-1-one is sourced from PubChem (CID 116609074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).