1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine

C16H25N — CID 167249257

IUPAC1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccccc1C1CCCN1C(C)C
InChIInChI=1S/C16H25N/c1-12(2)14-8-5-6-9-15(14)16-10-7-11-17(16)13(3)4/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3
InChIKeyQLWWZMBTVXMEHR-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.36
Rot. Bonds3

About 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine

1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine (PubChem CID 167249257) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine
PubChem CID167249257
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccccc1C1CCCN1C(C)C
InChIInChI=1S/C16H25N/c1-12(2)14-8-5-6-9-15(14)16-10-7-11-17(16)13(3)4/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3
InChIKeyQLWWZMBTVXMEHR-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500768
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500769
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
tert-butyl 2-(2-propan-2-ylphenyl)pyrrolidine-1-carboxylate
CID 155600402
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
CID 102540130
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane
CID 175904053
N,N-di(propan-2-yl)-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine
CID 102540014
N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine
CID 102540493
3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one
CID 167249262

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine (CID 167249257) is 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccccc1C1CCCN1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine?
The InChIKey is QLWWZMBTVXMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)14-8-5-6-9-15(14)16-10-7-11-17(16)13(3)4/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine?
1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 167249257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).