(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine

C25H35N — CID 167496244

IUPAC(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine
SMILESCCc1cccc(CC)c1N1C[C@](C)(c2cc(C)cc(C)c2)CC1(C)C
InChIInChI=1S/C25H35N/c1-8-20-11-10-12-21(9-2)23(20)26-17-25(7,16-24(26,5)6)22-14-18(3)13-19(4)15-22/h10-15H,8-9,16-17H2,1-7H3/t25-/m1/s1
InChIKeySIGDMLXKZXXUPA-RUZDIDTESA-N
MW349.56 g/mol
LogP6.37
Rot. Bonds4

About (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine

(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine (PubChem CID 167496244) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine.

Molecular Properties

Compound Name(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine
PubChem CID167496244
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine
SMILESCCc1cccc(CC)c1N1C[C@](C)(c2cc(C)cc(C)c2)CC1(C)C
InChIInChI=1S/C25H35N/c1-8-20-11-10-12-21(9-2)23(20)26-17-25(7,16-24(26,5)6)22-14-18(3)13-19(4)15-22/h10-15H,8-9,16-17H2,1-7H3/t25-/m1/s1
InChIKeySIGDMLXKZXXUPA-RUZDIDTESA-N
XLogP6.37
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 ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine?
The IUPAC name of (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine (CID 167496244) is (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine.
What is the SMILES notation for (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine?
The canonical SMILES for (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine is CCc1cccc(CC)c1N1C[C@](C)(c2cc(C)cc(C)c2)CC1(C)C.
What is the InChIKey of (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine?
The InChIKey is SIGDMLXKZXXUPA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H35N/c1-8-20-11-10-12-21(9-2)23(20)26-17-25(7,16-24(26,5)6)22-14-18(3)13-19(4)15-22/h10-15H,8-9,16-17H2,1-7H3/t25-/m1/s1.
What are the key properties of (4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine?
(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine has a molecular weight of 349.56 g/mol, XLogP of 6.37, 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-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine is sourced from PubChem (CID 167496244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).