3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one

C16H25NO2 — CID 79052304

IUPAC3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cc(C)ccc1OC)N(C)C
InChIInChI=1S/C16H25NO2/c1-7-16(3,17(4)5)15(18)11-13-10-12(2)8-9-14(13)19-6/h8-10H,7,11H2,1-6H3
InChIKeyONDZZKVHIIOTBP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds6

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

3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one (PubChem CID 79052304) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one
PubChem CID79052304
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cc(C)ccc1OC)N(C)C
InChIInChI=1S/C16H25NO2/c1-7-16(3,17(4)5)15(18)11-13-10-12(2)8-9-14(13)19-6/h8-10H,7,11H2,1-6H3
InChIKeyONDZZKVHIIOTBP-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 79061216
1-chloro-1,1-difluoro-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 112574712
1-(2-methoxy-5-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056851
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
1-tert-butylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 65133136
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one?
The IUPAC name of 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one (CID 79052304) is 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one?
The canonical SMILES for 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one is CCC(C)(C(=O)Cc1cc(C)ccc1OC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one?
The InChIKey is ONDZZKVHIIOTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-16(3,17(4)5)15(18)11-13-10-12(2)8-9-14(13)19-6/h8-10H,7,11H2,1-6H3.
What are the key properties of 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one?
3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one is sourced from PubChem (CID 79052304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).