5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one

C15H23NO2 — CID 116607520

IUPAC5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCC(CN)CCC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)18-14-7-5-13(6-8-14)15(17)9-4-12(3)10-16/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyNNAMIUIHSLCIRU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds7

About 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one

5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one (PubChem CID 116607520) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
PubChem CID116607520
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCC(CN)CCC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)18-14-7-5-13(6-8-14)15(17)9-4-12(3)10-16/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyNNAMIUIHSLCIRU-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
3-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 81463114
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
ethyl 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoate
CID 24727573
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
dimethyl-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]sulfanium
CID 139727794
5-amino-1-(3-fluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107129842
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
tris[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] phosphate
CID 139615221

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
The IUPAC name of 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one (CID 116607520) is 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one.
What is the SMILES notation for 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
The canonical SMILES for 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one is CC(CN)CCC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
The InChIKey is NNAMIUIHSLCIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-14-7-5-13(6-8-14)15(17)9-4-12(3)10-16/h5-8,11-12H,4,9-10,16H2,1-3H3.
What are the key properties of 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one has a molecular weight of 249.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one is sourced from PubChem (CID 116607520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).