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

C16H21Cl3N2O — CID 119648874

IUPAC[2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)C1CC1c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C16H20Cl2N2O.ClH/c1-19-9-11-3-2-6-20(11)16(21)14-8-13(14)12-5-4-10(17)7-15(12)18;/h4-5,7,11,13-14,19H,2-3,6,8-9H2,1H3;1H
InChIKeyHYMGPGDWUOBXES-UHFFFAOYSA-N
MW363.72 g/mol
LogP3.73
Rot. Bonds4

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

[2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119648874) has the molecular formula C16H21Cl3N2O and a molecular weight of 363.72 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119648874
Molecular FormulaC16H21Cl3N2O
Molecular Weight363.72 g/mol
Exact Mass362.07
IUPAC Name[2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)C1CC1c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C16H20Cl2N2O.ClH/c1-19-9-11-3-2-6-20(11)16(21)14-8-13(14)12-5-4-10(17)7-15(12)18;/h4-5,7,11,13-14,19H,2-3,6,8-9H2,1H3;1H
InChIKeyHYMGPGDWUOBXES-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119466453
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651721
2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119648543
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596017
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649806
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570451
(4-chloro-2-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484658
2-[4-[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]thiomorpholin-3-yl]acetic acid
CID 119210294
(2-bromo-4-chlorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124677503
(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649937
3-(4-chlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119649112

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119648874) is [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCCN1C(=O)C1CC1c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is HYMGPGDWUOBXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O.ClH/c1-19-9-11-3-2-6-20(11)16(21)14-8-13(14)12-5-4-10(17)7-15(12)18;/h4-5,7,11,13-14,19H,2-3,6,8-9H2,1H3;1H.
What are the key properties of [2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
[2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 363.72 g/mol, XLogP of 3.73, 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)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119648874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).