2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine

C12H14Cl3N — CID 65318647

IUPAC2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
SMILESClCC1CCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl3N/c13-7-11-2-1-5-16(11)8-9-6-10(14)3-4-12(9)15/h3-4,6,11H,1-2,5,7-8H2
InChIKeyBLJJMZVSFBAZTH-UHFFFAOYSA-N
MW278.61 g/mol
LogP4.20
Rot. Bonds3

About 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine

2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine (PubChem CID 65318647) has the molecular formula C12H14Cl3N and a molecular weight of 278.61 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
PubChem CID65318647
Molecular FormulaC12H14Cl3N
Molecular Weight278.61 g/mol
Exact Mass277.02
IUPAC Name2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
SMILESClCC1CCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl3N/c13-7-11-2-1-5-16(11)8-9-6-10(14)3-4-12(9)15/h3-4,6,11H,1-2,5,7-8H2
InChIKeyBLJJMZVSFBAZTH-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
1-[(2-chloro-5-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 102620248
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339551

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine (CID 65318647) is 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine is ClCC1CCCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine?
The InChIKey is BLJJMZVSFBAZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N/c13-7-11-2-1-5-16(11)8-9-6-10(14)3-4-12(9)15/h3-4,6,11H,1-2,5,7-8H2.
What are the key properties of 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine?
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine has a molecular weight of 278.61 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 65318647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).