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

C15H21ClN2O — CID 55170858

IUPAC1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
SMILESCN1CCC(CN(C)CC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-17-8-7-12(9-17)10-18(2)11-15(19)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3
InChIKeyVMXQRJOOYNHOCD-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.41
Rot. Bonds5

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

1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone (PubChem CID 55170858) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
PubChem CID55170858
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
SMILESCN1CCC(CN(C)CC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-17-8-7-12(9-17)10-18(2)11-15(19)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3
InChIKeyVMXQRJOOYNHOCD-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

1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170472
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(2-methylphenyl)propan-1-one
CID 63274696
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 63273674
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
4-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]acetyl]benzonitrile
CID 63274146
1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984093
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone (CID 55170858) is 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone is CN1CCC(CN(C)CC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
The InChIKey is VMXQRJOOYNHOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-8-7-12(9-17)10-18(2)11-15(19)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone?
1-(2-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-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone is sourced from PubChem (CID 55170858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).