(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine

C25H35N — CID 171726440

IUPAC(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
SMILESCC(C)c1cccc(C(C)C)c1N1C[C@](C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C25H35N/c1-18(2)21-14-11-15-22(19(3)4)23(21)26-17-25(7,16-24(26,5)6)20-12-9-8-10-13-20/h8-15,18-19H,16-17H2,1-7H3/t25-/m1/s1
InChIKeyHLTAIQGYWFEPPC-RUZDIDTESA-N
MW349.56 g/mol
LogP6.88
Rot. Bonds4

About (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine

(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine (PubChem CID 171726440) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
PubChem CID171726440
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
SMILESCC(C)c1cccc(C(C)C)c1N1C[C@](C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C25H35N/c1-18(2)21-14-11-15-22(19(3)4)23(21)26-17-25(7,16-24(26,5)6)20-12-9-8-10-13-20/h8-15,18-19H,16-17H2,1-7H3/t25-/m1/s1
InChIKeyHLTAIQGYWFEPPC-RUZDIDTESA-N
XLogP6.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine
CID 171726444
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
CID 162435803
2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine
CID 170637341
(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
(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-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide
CID 139125846
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]boranylideneborane
CID 102338200
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
2-[2,6-di(propan-2-yl)phenyl]-3,3-dimethyl-2-azaspiro[4.5]decane-1-thione
CID 139160540

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine?
The IUPAC name of (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine (CID 171726440) is (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine.
What is the SMILES notation for (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine?
The canonical SMILES for (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine is CC(C)c1cccc(C(C)C)c1N1C[C@](C)(c2ccccc2)CC1(C)C.
What is the InChIKey of (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine?
The InChIKey is HLTAIQGYWFEPPC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H35N/c1-18(2)21-14-11-15-22(19(3)4)23(21)26-17-25(7,16-24(26,5)6)20-12-9-8-10-13-20/h8-15,18-19H,16-17H2,1-7H3/t25-/m1/s1.
What are the key properties of (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine?
(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine has a molecular weight of 349.56 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine is sourced from PubChem (CID 171726440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).