2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine

C15H21Cl2N — CID 66468111

IUPAC2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine
SMILESCC(C)(C)C1(Cc2ccc(Cl)cc2Cl)CCCN1
InChIInChI=1S/C15H21Cl2N/c1-14(2,3)15(7-4-8-18-15)10-11-5-6-12(16)9-13(11)17/h5-6,9,18H,4,7-8,10H2,1-3H3
InChIKeyNKBFKEXULJBHPP-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.70
Rot. Bonds2

About 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine

2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine (PubChem CID 66468111) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine
PubChem CID66468111
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine
SMILESCC(C)(C)C1(Cc2ccc(Cl)cc2Cl)CCCN1
InChIInChI=1S/C15H21Cl2N/c1-14(2,3)15(7-4-8-18-15)10-11-5-6-12(16)9-13(11)17/h5-6,9,18H,4,7-8,10H2,1-3H3
InChIKeyNKBFKEXULJBHPP-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine (CID 66468111) is 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine is CC(C)(C)C1(Cc2ccc(Cl)cc2Cl)CCCN1.
What is the InChIKey of 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine?
The InChIKey is NKBFKEXULJBHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-14(2,3)15(7-4-8-18-15)10-11-5-6-12(16)9-13(11)17/h5-6,9,18H,4,7-8,10H2,1-3H3.
What are the key properties of 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine?
2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine has a molecular weight of 286.25 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 66468111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).