2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one

C17H26N2O — CID 63273720

IUPAC2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-5-7-16(8-6-13)17(20)14(2)19(4)12-15-9-10-18(3)11-15/h5-8,14-15H,9-12H2,1-4H3
InChIKeyDNFUADVQFQZBIU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.45
Rot. Bonds5

About 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 63273720) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
PubChem CID63273720
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-5-7-16(8-6-13)17(20)14(2)19(4)12-15-9-10-18(3)11-15/h5-8,14-15H,9-12H2,1-4H3
InChIKeyDNFUADVQFQZBIU-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273630
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55000088
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 62035251

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one (CID 63273720) is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N(C)CC2CCN(C)C2)cc1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is DNFUADVQFQZBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-7-16(8-6-13)17(20)14(2)19(4)12-15-9-10-18(3)11-15/h5-8,14-15H,9-12H2,1-4H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.45, 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-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 63273720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).