2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone

C16H24N2O — CID 79319620

IUPAC2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)CC2CCCN2C)c1
InChIInChI=1S/C16H24N2O/c1-13-6-4-7-14(10-13)16(19)12-17(2)11-15-8-5-9-18(15)3/h4,6-7,10,15H,5,8-9,11-12H2,1-3H3
InChIKeyMKXAXNOBQLTWJD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds5

About 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone (PubChem CID 79319620) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
PubChem CID79319620
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)CC2CCCN2C)c1
InChIInChI=1S/C16H24N2O/c1-13-6-4-7-14(10-13)16(19)12-17(2)11-15-8-5-9-18(15)3/h4,6-7,10,15H,5,8-9,11-12H2,1-3H3
InChIKeyMKXAXNOBQLTWJD-UHFFFAOYSA-N
XLogP2.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319202
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
1-(2-methoxy-4-methylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79310457
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79313470
1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319708
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79318977
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone (CID 79319620) is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CN(C)CC2CCCN2C)c1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone?
The InChIKey is MKXAXNOBQLTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-4-7-14(10-13)16(19)12-17(2)11-15-8-5-9-18(15)3/h4,6-7,10,15H,5,8-9,11-12H2,1-3H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone?
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 79319620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).