(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine

C14H20ClN — CID 157382871

IUPAC(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine
SMILESCC(C)(C)N1CCC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-14(2,3)16-9-5-8-13(16)11-6-4-7-12(15)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m1/s1
InChIKeyREFOOOILDSZUEV-CYBMUJFWSA-N
MW237.77 g/mol
LogP4.28
Rot. Bonds1

About (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine

(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine (PubChem CID 157382871) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine
PubChem CID157382871
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine
SMILESCC(C)(C)N1CCC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-14(2,3)16-9-5-8-13(16)11-6-4-7-12(15)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m1/s1
InChIKeyREFOOOILDSZUEV-CYBMUJFWSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
CID 97332250
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
CID 61384264
2-methyl-2-(2-phenylpyrrolidin-1-yl)propan-1-amine
CID 104523147
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
(2R)-2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]propan-1-one;2-methylpropanenitrile
CID 145446747
2-(2-bromo-6-chlorophenyl)-1-tert-butylpyrrolidine;2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2R)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2S)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;1-tert-butyl-2-(2-chloro-6-fluorophenyl)pyrrolidine;1-tert-butyl-2-(2-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(3-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(3-chlorophenyl)pyrrolidine;(2R)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;(2S)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(2,6-dichlorophenyl)pyrrolidine;1-tert-butyl-2-(2-fluorophenyl)pyrrolidine;1-tert-butyl-2-(4-methylphenyl)pyrrolidine
CID 161037860
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 106112107
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine?
The IUPAC name of (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine (CID 157382871) is (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine?
The canonical SMILES for (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine is CC(C)(C)N1CCC[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine?
The InChIKey is REFOOOILDSZUEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20ClN/c1-14(2,3)16-9-5-8-13(16)11-6-4-7-12(15)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine?
(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine is sourced from PubChem (CID 157382871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).