3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one

C17H27NO2 — CID 79061216

IUPAC3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
SMILESCCC(CC)(C(=O)Cc1cc(C)ccc1OC)N(C)C
InChIInChI=1S/C17H27NO2/c1-7-17(8-2,18(4)5)16(19)12-14-11-13(3)9-10-15(14)20-6/h9-11H,7-8,12H2,1-6H3
InChIKeyNYGFCCBBYXETBM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds7

About 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one

3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one (PubChem CID 79061216) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
PubChem CID79061216
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
SMILESCCC(CC)(C(=O)Cc1cc(C)ccc1OC)N(C)C
InChIInChI=1S/C17H27NO2/c1-7-17(8-2,18(4)5)16(19)12-14-11-13(3)9-10-15(14)20-6/h9-11H,7-8,12H2,1-6H3
InChIKeyNYGFCCBBYXETBM-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one
CID 79052304
1-chloro-1,1-difluoro-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 112574712
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
1-(2-methoxy-5-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056851
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 79495074
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one?
The IUPAC name of 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one (CID 79061216) is 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one?
The canonical SMILES for 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one is CCC(CC)(C(=O)Cc1cc(C)ccc1OC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one?
The InChIKey is NYGFCCBBYXETBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-17(8-2,18(4)5)16(19)12-14-11-13(3)9-10-15(14)20-6/h9-11H,7-8,12H2,1-6H3.
What are the key properties of 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one?
3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one has a molecular weight of 277.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one is sourced from PubChem (CID 79061216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).