(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine

C37H43N — CID 59629015

IUPAC(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine
SMILESCc1ccc(C(C)(C)c2ccc(C(c3ccc(C(C)(C)c4ccc(C)cc4)cc3)[C@@H]3CCCN3)cc2)cc1
InChIInChI=1S/C37H43N/c1-26-9-17-30(18-10-26)36(3,4)32-21-13-28(14-22-32)35(34-8-7-25-38-34)29-15-23-33(24-16-29)37(5,6)31-19-11-27(2)12-20-31/h9-24,34-35,38H,7-8,25H2,1-6H3/t34-/m0/s1
InChIKeyWCPOFLSESHMBBF-UMSFTDKQSA-N
MW501.76 g/mol
LogP8.84
Rot. Bonds7

About (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine

(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine (PubChem CID 59629015) has the molecular formula C37H43N and a molecular weight of 501.76 g/mol. Its IUPAC name is (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine
PubChem CID59629015
Molecular FormulaC37H43N
Molecular Weight501.76 g/mol
Exact Mass501.34
IUPAC Name(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine
SMILESCc1ccc(C(C)(C)c2ccc(C(c3ccc(C(C)(C)c4ccc(C)cc4)cc3)[C@@H]3CCCN3)cc2)cc1
InChIInChI=1S/C37H43N/c1-26-9-17-30(18-10-26)36(3,4)32-21-13-28(14-22-32)35(34-8-7-25-38-34)29-15-23-33(24-16-29)37(5,6)31-19-11-27(2)12-20-31/h9-24,34-35,38H,7-8,25H2,1-6H3/t34-/m0/s1
InChIKeyWCPOFLSESHMBBF-UMSFTDKQSA-N
XLogP8.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.76
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]piperidine
CID 59628977
(2S)-2-[bis(4-tert-butylphenyl)methyl]pyrrolidine
CID 59628644
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(2R)-2-[bis(3,5-ditert-butylphenyl)methyl]pyrrolidine
CID 59628646
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
CID 59628791
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
(2R)-2-[bis[4-(2-adamantyl)phenyl]methyl]pyrrolidine
CID 59628690
2-[fluoro-(4-methylphenyl)methyl]azetidine
CID 105438220
(2R)-2-[bis(3,5-dimethylphenyl)methyl]pyrrolidine;(2R)-2-[bis(4-fluorophenyl)methyl]pyrrolidine;(2R)-2-[bis(4-methylphenyl)methyl]pyrrolidine;[16-(1,1-diphenylethyl)-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol
CID 158902643

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine?
The IUPAC name of (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine (CID 59629015) is (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine is Cc1ccc(C(C)(C)c2ccc(C(c3ccc(C(C)(C)c4ccc(C)cc4)cc3)[C@@H]3CCCN3)cc2)cc1.
What is the InChIKey of (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine?
The InChIKey is WCPOFLSESHMBBF-UMSFTDKQSA-N. The full InChI is InChI=1S/C37H43N/c1-26-9-17-30(18-10-26)36(3,4)32-21-13-28(14-22-32)35(34-8-7-25-38-34)29-15-23-33(24-16-29)37(5,6)31-19-11-27(2)12-20-31/h9-24,34-35,38H,7-8,25H2,1-6H3/t34-/m0/s1.
What are the key properties of (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine?
(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine has a molecular weight of 501.76 g/mol, XLogP of 8.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine is sourced from PubChem (CID 59629015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).