1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone

C15H22N2O — CID 103575896

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC(C)C(N)C2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-4-5-13(6-11(10)2)7-15(18)17-8-12(3)14(16)9-17/h4-6,12,14H,7-9,16H2,1-3H3
InChIKeyDVOOCBYGMXXWQP-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.65
Rot. Bonds2

About 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone

1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 103575896) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID103575896
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC(C)C(N)C2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-4-5-13(6-11(10)2)7-15(18)17-8-12(3)14(16)9-17/h4-6,12,14H,7-9,16H2,1-3H3
InChIKeyDVOOCBYGMXXWQP-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 63107174
2-(3,4-dimethylphenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509955
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
1-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799856
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 103900845
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 106838762

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone (CID 103575896) is 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)N2CC(C)C(N)C2)cc1C.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is DVOOCBYGMXXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-4-5-13(6-11(10)2)7-15(18)17-8-12(3)14(16)9-17/h4-6,12,14H,7-9,16H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 103575896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).