(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine

C23H31N — CID 171726444

IUPAC(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine
SMILESCc1cccc(C(C)C)c1N1C[C@](C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C23H31N/c1-17(2)20-14-10-11-18(3)21(20)24-16-23(6,15-22(24,4)5)19-12-8-7-9-13-19/h7-14,17H,15-16H2,1-6H3/t23-/m1/s1
InChIKeyZGGRSONNLMGNPQ-HSZRJFAPSA-N
MW321.51 g/mol
LogP6.07
Rot. Bonds3

About (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine

(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine (PubChem CID 171726444) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine
PubChem CID171726444
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine
SMILESCc1cccc(C(C)C)c1N1C[C@](C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C23H31N/c1-17(2)20-14-10-11-18(3)21(20)24-16-23(6,15-22(24,4)5)19-12-8-7-9-13-19/h7-14,17H,15-16H2,1-6H3/t23-/m1/s1
InChIKeyZGGRSONNLMGNPQ-HSZRJFAPSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
CID 171726440
2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine
CID 170637341
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
CID 162435803
(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
CID 145493199
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117013204
(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine
CID 167496244
CID 177402644
CID 177402644
(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
CID 155647792
3-methyl-3-phenyl-1-propan-2-ylazetidine
CID 121277352
1'-[2,6-di(propan-2-yl)phenyl]-5,6-dimethoxy-2',2'-dimethylspiro[1,2-dihydroindene-3,4'-pyrrolidine]
CID 162733726
1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium
CID 159531312

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine?
The IUPAC name of (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine (CID 171726444) is (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine.
What is the SMILES notation for (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine?
The canonical SMILES for (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine is Cc1cccc(C(C)C)c1N1C[C@](C)(c2ccccc2)CC1(C)C.
What is the InChIKey of (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine?
The InChIKey is ZGGRSONNLMGNPQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N/c1-17(2)20-14-10-11-18(3)21(20)24-16-23(6,15-22(24,4)5)19-12-8-7-9-13-19/h7-14,17H,15-16H2,1-6H3/t23-/m1/s1.
What are the key properties of (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine?
(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine has a molecular weight of 321.51 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine is sourced from PubChem (CID 171726444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).