1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone

C15H21ClN2O — CID 55170472

IUPAC1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
SMILESCN1CCC(CN(C)CC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-17-8-7-12(9-17)10-18(2)11-15(19)13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyUQPFEAOTYRLHBV-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone

1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone (PubChem CID 55170472) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
PubChem CID55170472
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
SMILESCN1CCC(CN(C)CC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-17-8-7-12(9-17)10-18(2)11-15(19)13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyUQPFEAOTYRLHBV-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]acetyl]benzonitrile
CID 63274146
1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170858
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 63273674
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone (CID 55170472) is 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone is CN1CCC(CN(C)CC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
The InChIKey is UQPFEAOTYRLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-8-7-12(9-17)10-18(2)11-15(19)13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone has a molecular weight of 280.80 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone is sourced from PubChem (CID 55170472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).