5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one

C14H21NO2 — CID 116940702

IUPAC5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
SMILESCCc1ccc(OC)c(C(N)CCC(C)=O)c1
InChIInChI=1S/C14H21NO2/c1-4-11-6-8-14(17-3)12(9-11)13(15)7-5-10(2)16/h6,8-9,13H,4-5,7,15H2,1-3H3
InChIKeyNFCGHHDDCKYGAF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds6

About 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one

5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one (PubChem CID 116940702) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
PubChem CID116940702
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
SMILESCCc1ccc(OC)c(C(N)CCC(C)=O)c1
InChIInChI=1S/C14H21NO2/c1-4-11-6-8-14(17-3)12(9-11)13(15)7-5-10(2)16/h6,8-9,13H,4-5,7,15H2,1-3H3
InChIKeyNFCGHHDDCKYGAF-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-ethyl-2-methoxyphenyl)heptan-2-one
CID 83942671
5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116940685
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
4-amino-4-(5-ethyl-2-methoxyphenyl)butanenitrile
CID 116940003
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
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-ethyl-2-methoxyphenyl)pentan-2-one?
The IUPAC name of 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one (CID 116940702) is 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one?
The canonical SMILES for 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one is CCc1ccc(OC)c(C(N)CCC(C)=O)c1.
What is the InChIKey of 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one?
The InChIKey is NFCGHHDDCKYGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11-6-8-14(17-3)12(9-11)13(15)7-5-10(2)16/h6,8-9,13H,4-5,7,15H2,1-3H3.
What are the key properties of 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one?
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 116940702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).