1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine

C17H27NO — CID 168513361

IUPAC1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine
SMILESCOc1c(C(C)C)cc(N2CCCC2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-10-14(18-8-6-7-9-18)11-16(13(3)4)17(15)19-5/h10-13H,6-9H2,1-5H3
InChIKeyCEXGSHWBRCKNRE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.54
Rot. Bonds4

About 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine

1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine (PubChem CID 168513361) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine
PubChem CID168513361
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine
SMILESCOc1c(C(C)C)cc(N2CCCC2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-10-14(18-8-6-7-9-18)11-16(13(3)4)17(15)19-5/h10-13H,6-9H2,1-5H3
InChIKeyCEXGSHWBRCKNRE-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
CID 117376272
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
4-piperidin-1-yl-2-propan-2-ylbenzonitrile
CID 84692085
1-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 167149955
1-(3-methoxy-5-methylphenyl)pyrrolidine
CID 89202554
1,1-dioxo-4-propan-2-yl-6-pyrrolidin-1-yl-1,2-benzothiazol-3-one
CID 70046448
3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
CID 176934846
4-(4-propan-2-yl-1H-indazol-6-yl)morpholine
CID 167286378
N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
CID 117347740

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine (CID 168513361) is 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine is COc1c(C(C)C)cc(N2CCCC2)cc1C(C)C.
What is the InChIKey of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine?
The InChIKey is CEXGSHWBRCKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15-10-14(18-8-6-7-9-18)11-16(13(3)4)17(15)19-5/h10-13H,6-9H2,1-5H3.
What are the key properties of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine?
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine is sourced from PubChem (CID 168513361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).