1-(2-chloroethyl)-3-phenylpyrrolidine

C12H16ClN — CID 62133780

IUPAC1-(2-chloroethyl)-3-phenylpyrrolidine
SMILESClCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C12H16ClN/c13-7-9-14-8-6-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyVLZSRQURAWJLIN-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-chloroethyl)-3-phenylpyrrolidine

1-(2-chloroethyl)-3-phenylpyrrolidine (PubChem CID 62133780) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-phenylpyrrolidine
PubChem CID62133780
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-(2-chloroethyl)-3-phenylpyrrolidine
SMILESClCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C12H16ClN/c13-7-9-14-8-6-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyVLZSRQURAWJLIN-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.71
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

1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
3-phenyl-1-propylpiperidine
CID 12937946
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-phenylpyrrolidine?
The IUPAC name of 1-(2-chloroethyl)-3-phenylpyrrolidine (CID 62133780) is 1-(2-chloroethyl)-3-phenylpyrrolidine.
What is the SMILES notation for 1-(2-chloroethyl)-3-phenylpyrrolidine?
The canonical SMILES for 1-(2-chloroethyl)-3-phenylpyrrolidine is ClCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 1-(2-chloroethyl)-3-phenylpyrrolidine?
The InChIKey is VLZSRQURAWJLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-7-9-14-8-6-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 1-(2-chloroethyl)-3-phenylpyrrolidine?
1-(2-chloroethyl)-3-phenylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-phenylpyrrolidine is sourced from PubChem (CID 62133780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).