2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine

C14H19Cl2N — CID 66468098

IUPAC2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cc(Cl)ccc2Cl)CCCN1
InChIInChI=1S/C14H19Cl2N/c1-10(2)14(6-3-7-17-14)9-11-8-12(15)4-5-13(11)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyRMBNOHUSJIVXGD-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.31
Rot. Bonds3

About 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine

2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 66468098) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID66468098
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cc(Cl)ccc2Cl)CCCN1
InChIInChI=1S/C14H19Cl2N/c1-10(2)14(6-3-7-17-14)9-11-8-12(15)4-5-13(11)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyRMBNOHUSJIVXGD-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 102619043
2-[(2,5-dichlorophenyl)methyl]-2-ethylazepane
CID 79116804
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
CID 117271523
2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
CID 104688570
2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
CID 65317862
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
CID 115058741

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine (CID 66468098) is 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine is CC(C)C1(Cc2cc(Cl)ccc2Cl)CCCN1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is RMBNOHUSJIVXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10(2)14(6-3-7-17-14)9-11-8-12(15)4-5-13(11)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine?
2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 272.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 66468098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).