6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one

C17H27NO2 — CID 103434856

IUPAC6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one
SMILESCCC(CCN)CCC(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H27NO2/c1-5-14(10-11-18)7-9-16(19)15-8-6-12(2)13(3)17(15)20-4/h6,8,14H,5,7,9-11,18H2,1-4H3
InChIKeyXPVJBUUSUXEKIS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.65
Rot. Bonds8

About 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one

6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one (PubChem CID 103434856) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one
PubChem CID103434856
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one
SMILESCCC(CCN)CCC(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H27NO2/c1-5-14(10-11-18)7-9-16(19)15-8-6-12(2)13(3)17(15)20-4/h6,8,14H,5,7,9-11,18H2,1-4H3
InChIKeyXPVJBUUSUXEKIS-UHFFFAOYSA-N
XLogP3.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
CID 103434986
1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103433078
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434857
6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
CID 116578308
6-amino-1-(3-bromo-2,4-dimethoxyphenyl)-4-methylhexan-1-one
CID 103524296
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037
6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
CID 116578135
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one?
The IUPAC name of 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one (CID 103434856) is 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one.
What is the SMILES notation for 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one?
The canonical SMILES for 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one is CCC(CCN)CCC(=O)c1ccc(C)c(C)c1OC.
What is the InChIKey of 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one?
The InChIKey is XPVJBUUSUXEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-14(10-11-18)7-9-16(19)15-8-6-12(2)13(3)17(15)20-4/h6,8,14H,5,7,9-11,18H2,1-4H3.
What are the key properties of 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one?
6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one is sourced from PubChem (CID 103434856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).