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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Related Compounds

N-Desmethylsibutramine
CID 10199199
3-(4-Chlorophenyl)pyrrolidine
CID 129150
1-(1-(4-chlorophenyl)cyclohexyl)-N-methylmethanamine
CID 53321059
(1-(4-Chlorophenyl)propan-2-yl)(ethyl)amine
CID 526656
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride
CID 6603199
(RR/SS)-2-[1-(4-chlorophenyl)-3,3-dimethylbutyl]-piperidine
CID 16102756
(3aR,7aS)-7a-(2,4-dichlorophenyl)-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 53392939
3-(4-chloro-3-methylphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541194
1-(2,4-Dichlorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 16048539
Desmethylsibutramine hydrochloride
CID 13083195
(alphaS)-1-(4-Chlorophenyl)-N-methyl-alpha-(2-methylpropyl)cyclobutanemethanamine
CID 9838199
Picilorex
CID 191657

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).