5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one

C16H25NO2 — CID 116940675

IUPAC5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
SMILESCOc1ccc(C(C)(C)C)cc1C(N)CCC(C)=O
InChIInChI=1S/C16H25NO2/c1-11(18)6-8-14(17)13-10-12(16(2,3)4)7-9-15(13)19-5/h7,9-10,14H,6,8,17H2,1-5H3
InChIKeyLZWXPCONGKRVEL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.36
Rot. Bonds5

About 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one

5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one (PubChem CID 116940675) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
PubChem CID116940675
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
SMILESCOc1ccc(C(C)(C)C)cc1C(N)CCC(C)=O
InChIInChI=1S/C16H25NO2/c1-11(18)6-8-14(17)13-10-12(16(2,3)4)7-9-15(13)19-5/h7,9-10,14H,6,8,17H2,1-5H3
InChIKeyLZWXPCONGKRVEL-UHFFFAOYSA-N
XLogP3.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116940685
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 116933842
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
3-amino-3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117401252
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
2-amino-2-(5-tert-butyl-2-methoxyphenyl)-N-methylacetamide
CID 116850378
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one?
The IUPAC name of 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one (CID 116940675) is 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one?
The canonical SMILES for 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one is COc1ccc(C(C)(C)C)cc1C(N)CCC(C)=O.
What is the InChIKey of 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one?
The InChIKey is LZWXPCONGKRVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(18)6-8-14(17)13-10-12(16(2,3)4)7-9-15(13)19-5/h7,9-10,14H,6,8,17H2,1-5H3.
What are the key properties of 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one?
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 116940675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).