(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine

C15H23N — CID 157275128

IUPAC(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@@H]1CCCN1C(C)(C)C
InChIInChI=1S/C15H23N/c1-12-8-5-6-9-13(12)14-10-7-11-16(14)15(2,3)4/h5-6,8-9,14H,7,10-11H2,1-4H3/t14-/m0/s1
InChIKeySPUFGXPNFYWTQP-AWEZNQCLSA-N
MW217.36 g/mol
LogP3.93
Rot. Bonds1

About (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine

(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine (PubChem CID 157275128) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine
PubChem CID157275128
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@@H]1CCCN1C(C)(C)C
InChIInChI=1S/C15H23N/c1-12-8-5-6-9-13(12)14-10-7-11-16(14)15(2,3)4/h5-6,8-9,14H,7,10-11H2,1-4H3/t14-/m0/s1
InChIKeySPUFGXPNFYWTQP-AWEZNQCLSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine?
The IUPAC name of (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine (CID 157275128) is (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine?
The canonical SMILES for (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine is Cc1ccccc1[C@@H]1CCCN1C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine?
The InChIKey is SPUFGXPNFYWTQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N/c1-12-8-5-6-9-13(12)14-10-7-11-16(14)15(2,3)4/h5-6,8-9,14H,7,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine?
(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 157275128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).