2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine

C16H24ClN — CID 102784753

IUPAC2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CN2CCC(C)C2CCl)c(C)c1
InChIInChI=1S/C16H24ClN/c1-11-7-13(3)15(14(4)8-11)10-18-6-5-12(2)16(18)9-17/h7-8,12,16H,5-6,9-10H2,1-4H3
InChIKeyPZRXAUKZZXGKQD-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.06
Rot. Bonds3

About 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine

2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (PubChem CID 102784753) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
PubChem CID102784753
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CN2CCC(C)C2CCl)c(C)c1
InChIInChI=1S/C16H24ClN/c1-11-7-13(3)15(14(4)8-11)10-18-6-5-12(2)16(18)9-17/h7-8,12,16H,5-6,9-10H2,1-4H3
InChIKeyPZRXAUKZZXGKQD-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (CID 102784753) is 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is Cc1cc(C)c(CN2CCC(C)C2CCl)c(C)c1.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The InChIKey is PZRXAUKZZXGKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-7-13(3)15(14(4)8-11)10-18-6-5-12(2)16(18)9-17/h7-8,12,16H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine has a molecular weight of 265.83 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 102784753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).