1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine

C15H21ClN2 — CID 55160329

IUPAC1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESClCc1ccccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H21ClN2/c16-11-13-5-1-2-6-15(13)18-10-7-14(12-18)17-8-3-4-9-17/h1-2,5-6,14H,3-4,7-12H2
InChIKeyZGIIYVRDTZWCMW-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.10
Rot. Bonds3

About 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine

1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 55160329) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
PubChem CID55160329
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESClCc1ccccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H21ClN2/c16-11-13-5-1-2-6-15(13)18-10-7-14(12-18)17-8-3-4-9-17/h1-2,5-6,14H,3-4,7-12H2
InChIKeyZGIIYVRDTZWCMW-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
2-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 63512012
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
1-[4-(chloromethyl)-2-fluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 63170129
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
2-[2-(2-methoxyethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102908462
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
CID 79924766
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
CID 63170127
2-chloro-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzaldehyde
CID 63170073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine (CID 55160329) is 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine is ClCc1ccccc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is ZGIIYVRDTZWCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-11-13-5-1-2-6-15(13)18-10-7-14(12-18)17-8-3-4-9-17/h1-2,5-6,14H,3-4,7-12H2.
What are the key properties of 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine?
1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 264.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 55160329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).