2-phenyl-1,4-di(propan-2-yl)pyrrolidine

C16H25N — CID 58778539

IUPAC2-phenyl-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(c2ccccc2)N(C(C)C)C1
InChIInChI=1S/C16H25N/c1-12(2)15-10-16(17(11-15)13(3)4)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3
InChIKeyIEQUQZFDCQFOHO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.11
Rot. Bonds3

About 2-phenyl-1,4-di(propan-2-yl)pyrrolidine

2-phenyl-1,4-di(propan-2-yl)pyrrolidine (PubChem CID 58778539) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-phenyl-1,4-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-phenyl-1,4-di(propan-2-yl)pyrrolidine
PubChem CID58778539
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-phenyl-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(c2ccccc2)N(C(C)C)C1
InChIInChI=1S/C16H25N/c1-12(2)15-10-16(17(11-15)13(3)4)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3
InChIKeyIEQUQZFDCQFOHO-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-phenyl-1-[(1S)-1-phenylethyl]aziridine
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(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine
CID 164925008
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
CID 169211755
2-phenyl-1,5-di(propan-2-yl)pyrrolidine
CID 21303250
4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 140531930
2-phenyl-1-propan-2-yl-1,4-diazepane
CID 82242017
3-phenyl-1-propan-2-ylazetidine
CID 23628
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
(2R)-1-chloro-2-phenylaziridine
CID 13129910

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2-phenyl-1,4-di(propan-2-yl)pyrrolidine (CID 58778539) is 2-phenyl-1,4-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-phenyl-1,4-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-phenyl-1,4-di(propan-2-yl)pyrrolidine is CC(C)C1CC(c2ccccc2)N(C(C)C)C1.
What is the InChIKey of 2-phenyl-1,4-di(propan-2-yl)pyrrolidine?
The InChIKey is IEQUQZFDCQFOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)15-10-16(17(11-15)13(3)4)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3.
What are the key properties of 2-phenyl-1,4-di(propan-2-yl)pyrrolidine?
2-phenyl-1,4-di(propan-2-yl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).