5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one

C15H23NO2 — CID 116940680

IUPAC5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
SMILESCOc1ccc(C(N)CCC(C)=O)cc1C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)13-9-12(6-8-15(13)18-4)14(16)7-5-11(3)17/h6,8-10,14H,5,7,16H2,1-4H3
InChIKeyMCZQBNIDPSRVLQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.19
Rot. Bonds6

About 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one

5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one (PubChem CID 116940680) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
PubChem CID116940680
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
SMILESCOc1ccc(C(N)CCC(C)=O)cc1C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)13-9-12(6-8-15(13)18-4)14(16)7-5-11(3)17/h6,8-10,14H,5,7,16H2,1-4H3
InChIKeyMCZQBNIDPSRVLQ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116940685
4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
CID 112510486
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one?
The IUPAC name of 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one (CID 116940680) is 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one?
The canonical SMILES for 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one is COc1ccc(C(N)CCC(C)=O)cc1C(C)C.
What is the InChIKey of 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one?
The InChIKey is MCZQBNIDPSRVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)13-9-12(6-8-15(13)18-4)14(16)7-5-11(3)17/h6,8-10,14H,5,7,16H2,1-4H3.
What are the key properties of 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one?
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one has a molecular weight of 249.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one is sourced from PubChem (CID 116940680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).