3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine

C12H14Cl3N — CID 107309985

IUPAC3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
SMILESClCC1CCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H14Cl3N/c13-6-9-4-5-16(7-9)8-10-2-1-3-11(14)12(10)15/h1-3,9H,4-8H2
InChIKeyONEYJGGPZLVJCP-UHFFFAOYSA-N
MW278.61 g/mol
LogP4.05
Rot. Bonds3

About 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine

3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine (PubChem CID 107309985) has the molecular formula C12H14Cl3N and a molecular weight of 278.61 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
PubChem CID107309985
Molecular FormulaC12H14Cl3N
Molecular Weight278.61 g/mol
Exact Mass277.02
IUPAC Name3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
SMILESClCC1CCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H14Cl3N/c13-6-9-4-5-16(7-9)8-10-2-1-3-11(14)12(10)15/h1-3,9H,4-8H2
InChIKeyONEYJGGPZLVJCP-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.61
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
1-[(3-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 102859725
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
tert-butyl N-[[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 22115371
3-(bromomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 102859873
(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
CID 133133036
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine (CID 107309985) is 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine is ClCC1CCN(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine?
The InChIKey is ONEYJGGPZLVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N/c13-6-9-4-5-16(7-9)8-10-2-1-3-11(14)12(10)15/h1-3,9H,4-8H2.
What are the key properties of 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine?
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine has a molecular weight of 278.61 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 107309985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).