2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride

C14H19Cl3N2O — CID 119648543

IUPAC2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCNCC1CCCN1C(=O)Cc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-17-9-12-3-2-6-18(12)14(19)7-10-4-5-11(15)8-13(10)16;/h4-5,8,12,17H,2-3,6-7,9H2,1H3;1H
InChIKeyPXXXUZOIWWJHCN-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.17
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride

2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 119648543) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID119648543
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC Name2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCNCC1CCCN1C(=O)Cc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-17-9-12-3-2-6-18(12)14(19)7-10-4-5-11(15)8-13(10)16;/h4-5,8,12,17H,2-3,6-7,9H2,1H3;1H
InChIKeyPXXXUZOIWWJHCN-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649806
2-(2,4-dichlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030140
3-(4-chlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119649112
[2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119648874
2-(4-chlorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650438
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
(4-chloro-2-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484658
2-(4-bromophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650430
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
(2-bromo-4-chlorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124677503
2-(3,4-dimethylphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81484044
2-(3-bromophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650673

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride (CID 119648543) is 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride is CNCC1CCCN1C(=O)Cc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is PXXXUZOIWWJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O.ClH/c1-17-9-12-3-2-6-18(12)14(19)7-10-4-5-11(15)8-13(10)16;/h4-5,8,12,17H,2-3,6-7,9H2,1H3;1H.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119648543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).