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

C16H23ClN2O — CID 63273630

IUPAC1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H23ClN2O/c1-12(16(20)14-5-4-6-15(17)9-14)19(3)11-13-7-8-18(2)10-13/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyLXWOCNJGNLBMSH-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.79
Rot. Bonds5

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

1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one (PubChem CID 63273630) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
PubChem CID63273630
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H23ClN2O/c1-12(16(20)14-5-4-6-15(17)9-14)19(3)11-13-7-8-18(2)10-13/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyLXWOCNJGNLBMSH-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95349122
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050758
1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165105
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 62031336
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one (CID 63273630) is 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one is CC(C(=O)c1cccc(Cl)c1)N(C)CC1CCN(C)C1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The InChIKey is LXWOCNJGNLBMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(16(20)14-5-4-6-15(17)9-14)19(3)11-13-7-8-18(2)10-13/h4-6,9,12-13H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one has a molecular weight of 294.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 63273630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).