2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine

C27H39N — CID 170637341

IUPAC2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine
SMILESCc1cccc(C(C)C)c1N1CC(C)(c2ccc(CC(C)C)cc2)CC1(C)C
InChIInChI=1S/C27H39N/c1-19(2)16-22-12-14-23(15-13-22)27(8)17-26(6,7)28(18-27)25-21(5)10-9-11-24(25)20(3)4/h9-15,19-20H,16-18H2,1-8H3
InChIKeyAXDFKXYUIYDYPY-UHFFFAOYSA-N
MW377.62 g/mol
LogP7.26
Rot. Bonds5

About 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine

2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine (PubChem CID 170637341) has the molecular formula C27H39N and a molecular weight of 377.62 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine
PubChem CID170637341
Molecular FormulaC27H39N
Molecular Weight377.62 g/mol
Exact Mass377.31
IUPAC Name2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine
SMILESCc1cccc(C(C)C)c1N1CC(C)(c2ccc(CC(C)C)cc2)CC1(C)C
InChIInChI=1S/C27H39N/c1-19(2)16-22-12-14-23(15-13-22)27(8)17-26(6,7)28(18-27)25-21(5)10-9-11-24(25)20(3)4/h9-15,19-20H,16-18H2,1-8H3
InChIKeyAXDFKXYUIYDYPY-UHFFFAOYSA-N
XLogP7.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.62
LogP ≤ 57.26
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
(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
CID 171726440
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
CID 162435803
carbanide;chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidin-5-ide
CID 170637340
(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
CID 145493199
4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
CID 63156729
(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine
CID 167496244
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 116842625
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
CID 177402644
CID 177402644
[2-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 81357565
(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
CID 155647792

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine?
The IUPAC name of 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine (CID 170637341) is 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine.
What is the SMILES notation for 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine?
The canonical SMILES for 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine is Cc1cccc(C(C)C)c1N1CC(C)(c2ccc(CC(C)C)cc2)CC1(C)C.
What is the InChIKey of 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine?
The InChIKey is AXDFKXYUIYDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N/c1-19(2)16-22-12-14-23(15-13-22)27(8)17-26(6,7)28(18-27)25-21(5)10-9-11-24(25)20(3)4/h9-15,19-20H,16-18H2,1-8H3.
What are the key properties of 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine?
2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine has a molecular weight of 377.62 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine is sourced from PubChem (CID 170637341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).