2-(2-tert-butyl-5-ethylphenyl)pyrrolidine

C16H25N — CID 146753691

IUPAC2-(2-tert-butyl-5-ethylphenyl)pyrrolidine
SMILESCCc1ccc(C(C)(C)C)c(C2CCCN2)c1
InChIInChI=1S/C16H25N/c1-5-12-8-9-14(16(2,3)4)13(11-12)15-7-6-10-17-15/h8-9,11,15,17H,5-7,10H2,1-4H3
InChIKeyRNWUWZRYSJCVIA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds2

About 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine

2-(2-tert-butyl-5-ethylphenyl)pyrrolidine (PubChem CID 146753691) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-tert-butyl-5-ethylphenyl)pyrrolidine
PubChem CID146753691
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(2-tert-butyl-5-ethylphenyl)pyrrolidine
SMILESCCc1ccc(C(C)(C)C)c(C2CCCN2)c1
InChIInChI=1S/C16H25N/c1-5-12-8-9-14(16(2,3)4)13(11-12)15-7-6-10-17-15/h8-9,11,15,17H,5-7,10H2,1-4H3
InChIKeyRNWUWZRYSJCVIA-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
4-ethyl-N,N-dimethyl-2-piperidin-2-ylaniline
CID 117116372
2-tert-butyl-4-chloro-6-pyrrolidin-2-ylphenol
CID 117387935
4-ethyl-2-pyrrolidin-2-ylpyridine
CID 115009302
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
(2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine
CID 130267913
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
4-tert-butyl-2-[(2S)-pyrrolidin-2-yl]aniline
CID 66519039
(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine
CID 59628636
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641479

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine?
The IUPAC name of 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine (CID 146753691) is 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine?
The canonical SMILES for 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine is CCc1ccc(C(C)(C)C)c(C2CCCN2)c1.
What is the InChIKey of 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine?
The InChIKey is RNWUWZRYSJCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-12-8-9-14(16(2,3)4)13(11-12)15-7-6-10-17-15/h8-9,11,15,17H,5-7,10H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine?
2-(2-tert-butyl-5-ethylphenyl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-ethylphenyl)pyrrolidine is sourced from PubChem (CID 146753691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).