2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone

C16H24N2O3 — CID 124613050

IUPAC2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNC[C@@H]1CCN(C(=O)Cc2c(OC)cccc2OC)C1
InChIInChI=1S/C16H24N2O3/c1-17-10-12-7-8-18(11-12)16(19)9-13-14(20-2)5-4-6-15(13)21-3/h4-6,12,17H,7-11H2,1-3H3/t12-/m0/s1
InChIKeyGWSIEJNJVSQELF-LBPRGKRZSA-N
MW292.38 g/mol
LogP1.31
Rot. Bonds6

About 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone

2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone (PubChem CID 124613050) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
PubChem CID124613050
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNC[C@@H]1CCN(C(=O)Cc2c(OC)cccc2OC)C1
InChIInChI=1S/C16H24N2O3/c1-17-10-12-7-8-18(11-12)16(19)9-13-14(20-2)5-4-6-15(13)21-3/h4-6,12,17H,7-11H2,1-3H3/t12-/m0/s1
InChIKeyGWSIEJNJVSQELF-LBPRGKRZSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119545416
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
2-(2,6-dichlorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119542039
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119541516
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
3-(2-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119539238
2-(3-fluoro-4-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538507
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(2,3,4-trimethoxyphenyl)propan-1-one
CID 119542324
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone (CID 124613050) is 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone is CNC[C@@H]1CCN(C(=O)Cc2c(OC)cccc2OC)C1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is GWSIEJNJVSQELF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-10-12-7-8-18(11-12)16(19)9-13-14(20-2)5-4-6-15(13)21-3/h4-6,12,17H,7-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124613050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).