(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone

C15H21NO2 — CID 103434862

IUPAC(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCOc1c(C(=O)C2(C)CCCN2)ccc(C)c1C
InChIInChI=1S/C15H21NO2/c1-10-6-7-12(13(18-4)11(10)2)14(17)15(3)8-5-9-16-15/h6-7,16H,5,8-9H2,1-4H3
InChIKeyMCTXFXBPOHKUQL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone

(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 103434862) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID103434862
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCOc1c(C(=O)C2(C)CCCN2)ccc(C)c1C
InChIInChI=1S/C15H21NO2/c1-10-6-7-12(13(18-4)11(10)2)14(17)15(3)8-5-9-16-15/h6-7,16H,5,8-9H2,1-4H3
InChIKeyMCTXFXBPOHKUQL-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanone, 2-((1,1-dimethylethyl)amino)-1-(2-methoxyphenyl)-, hydrochloride
CID 3062446
3-(Ethyl amino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76315027
3-(Hexylamino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76315028
5-Methoxy-2-methyl-3-(nonylamino)naphthalene-1,4-dione
CID 76315029
(e)-5-Methoxy-2-methyl-3-(octadec-9-enylamino)naphthalene-1,4-dione
CID 76318674
5-Methoxy-2-methyl-3-(propylamino)naphthalene-1,4-dione
CID 76318675
5-Methoxy-2-methyl-3-(octylamino)naphthalene-1,4-dione
CID 76322322
3-(Decylamino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76325941
3-(Hexadecylamino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76329519
3-(Allylamino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76329520
3-(Butylamino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76329522
3-(Dodecylamino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76333169

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone (CID 103434862) is (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone is COc1c(C(=O)C2(C)CCCN2)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is MCTXFXBPOHKUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-7-12(13(18-4)11(10)2)14(17)15(3)8-5-9-16-15/h6-7,16H,5,8-9H2,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 103434862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).