1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one

C16H24N2O — CID 79318976

IUPAC1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
SMILESCN(CC(=O)Cc1ccccc1)CC1CCCN1C
InChIInChI=1S/C16H24N2O/c1-17(12-15-9-6-10-18(15)2)13-16(19)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeySAKMMAYIHFJNMG-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.82
Rot. Bonds6

About 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one (PubChem CID 79318976) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
PubChem CID79318976
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
SMILESCN(CC(=O)Cc1ccccc1)CC1CCCN1C
InChIInChI=1S/C16H24N2O/c1-17(12-15-9-6-10-18(15)2)13-16(19)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeySAKMMAYIHFJNMG-UHFFFAOYSA-N
XLogP1.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319708
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369
3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
CID 107653183
1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319202
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
CID 79319620
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
2-(2-hydroxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 80741271

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one (CID 79318976) is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one is CN(CC(=O)Cc1ccccc1)CC1CCCN1C.
What is the InChIKey of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one?
The InChIKey is SAKMMAYIHFJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17(12-15-9-6-10-18(15)2)13-16(19)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3.
What are the key properties of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one?
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one has a molecular weight of 260.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one is sourced from PubChem (CID 79318976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).