3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine

C11H13Cl2N — CID 63388048

IUPAC3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
SMILESClc1ccccc1CN1CCC(Cl)C1
InChIInChI=1S/C11H13Cl2N/c12-10-5-6-14(8-10)7-9-3-1-2-4-11(9)13/h1-4,10H,5-8H2
InChIKeyGBKNAKFUPRPPAW-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.15
Rot. Bonds2

About 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine

3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine (PubChem CID 63388048) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
PubChem CID63388048
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
SMILESClc1ccccc1CN1CCC(Cl)C1
InChIInChI=1S/C11H13Cl2N/c12-10-5-6-14(8-10)7-9-3-1-2-4-11(9)13/h1-4,10H,5-8H2
InChIKeyGBKNAKFUPRPPAW-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.15
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

2-[(3-chloropyrrolidin-1-yl)methyl]aniline
CID 130150251
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
3-[(2-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927319
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
4-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725305
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine?
The IUPAC name of 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine (CID 63388048) is 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine is Clc1ccccc1CN1CCC(Cl)C1.
What is the InChIKey of 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine?
The InChIKey is GBKNAKFUPRPPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-10-5-6-14(8-10)7-9-3-1-2-4-11(9)13/h1-4,10H,5-8H2.
What are the key properties of 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine?
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine has a molecular weight of 230.14 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 63388048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).