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

C15H23NO2 — CID 116557003

IUPAC2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-10-15(4,16)14(17)12-6-8-13(9-7-12)18-11(2)3/h6-9,11H,5,10,16H2,1-4H3
InChIKeyBQJGFOKCSRVMKH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.17
Rot. Bonds6

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

2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one (PubChem CID 116557003) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
PubChem CID116557003
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-10-15(4,16)14(17)12-6-8-13(9-7-12)18-11(2)3/h6-9,11H,5,10,16H2,1-4H3
InChIKeyBQJGFOKCSRVMKH-UHFFFAOYSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 60847702
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 116710279
2-amino-2-methyl-1-(2-propan-2-yloxyphenyl)pentan-1-one
CID 116556941
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 79061219
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one (CID 116557003) is 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one is CCCC(C)(N)C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
The InChIKey is BQJGFOKCSRVMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-10-15(4,16)14(17)12-6-8-13(9-7-12)18-11(2)3/h6-9,11H,5,10,16H2,1-4H3.
What are the key properties of 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one?
2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one has a molecular weight of 249.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one is sourced from PubChem (CID 116557003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).