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

C15H21IN2O — CID 79319202

IUPAC1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1ccc(I)cc1)CC1CCCN1C
InChIInChI=1S/C15H21IN2O/c1-17(10-14-4-3-9-18(14)2)11-15(19)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyNPYLYZNWMGHHHA-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.50
Rot. Bonds5

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

1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone (PubChem CID 79319202) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
PubChem CID79319202
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1ccc(I)cc1)CC1CCCN1C
InChIInChI=1S/C15H21IN2O/c1-17(10-14-4-3-9-18(14)2)11-15(19)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyNPYLYZNWMGHHHA-UHFFFAOYSA-N
XLogP2.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
CID 79319620
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393
1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319708
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62889137
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79318977
1-(2-methoxy-4-methylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79310457
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one
CID 79318665

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone (CID 79319202) is 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone is CN(CC(=O)c1ccc(I)cc1)CC1CCCN1C.
What is the InChIKey of 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The InChIKey is NPYLYZNWMGHHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-17(10-14-4-3-9-18(14)2)11-15(19)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone has a molecular weight of 372.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone is sourced from PubChem (CID 79319202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).