1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine

C18H28N2O — CID 166899184

IUPAC1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine
SMILESCOc1cc(C(C)(C)C)ccc1N1CC(N2CCCC2)C1
InChIInChI=1S/C18H28N2O/c1-18(2,3)14-7-8-16(17(11-14)21-4)20-12-15(13-20)19-9-5-6-10-19/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3
InChIKeyPGRPAFRKLVJQMZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine

1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine (PubChem CID 166899184) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine
PubChem CID166899184
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine
SMILESCOc1cc(C(C)(C)C)ccc1N1CC(N2CCCC2)C1
InChIInChI=1S/C18H28N2O/c1-18(2,3)14-7-8-16(17(11-14)21-4)20-12-15(13-20)19-9-5-6-10-19/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3
InChIKeyPGRPAFRKLVJQMZ-UHFFFAOYSA-N
XLogP3.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
4-(2-(3-Methoxyphenyl)ethyl)-1-(2-methoxyphenyl)piperazine
CID 9996500
1-(2-Methoxy-phenyl)-4-[4-(3-methoxy-phenyl)-cyclohex-3-enyl]-piperazine
CID 11003366
1-(2-Methoxyphenyl)-4-(5-phenylpentyl)piperazine
CID 44276235
Cambridge id 5425780
CID 5310596
Ammonium, (2-hydroxy-5-tert-pentylphenyl)trimethyl-, iodide, dimethylcarbamate (ester)
CID 58742
3-(3-Methoxyphenyl)-1-phenyl-3-propylpyrrolidine
CID 214322
(1R,5S)-8-(2-methoxyphenyl)-3-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane
CID 177648008
4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline
CID 53315412
1-(2-Methoxyphenyl)-4-(4-phenylcyclohexyl)piperazine
CID 969469
1-(2-Methoxyphenyl)-4-[2-(1-pyrrolidinyl)-2-(phenyl)ethyl]piperazine
CID 19802562
Cambridge id 5262080
CID 763987

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine?
The IUPAC name of 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine (CID 166899184) is 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine?
The canonical SMILES for 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine is COc1cc(C(C)(C)C)ccc1N1CC(N2CCCC2)C1.
What is the InChIKey of 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine?
The InChIKey is PGRPAFRKLVJQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)14-7-8-16(17(11-14)21-4)20-12-15(13-20)19-9-5-6-10-19/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine?
1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine has a molecular weight of 288.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine is sourced from PubChem (CID 166899184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).