2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine

C17H27NO — CID 62479956

IUPAC2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
SMILESCC(C)(C)c1ccc(OCCCC2CCCN2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-8-10-16(11-9-14)19-13-5-7-15-6-4-12-18-15/h8-11,15,18H,4-7,12-13H2,1-3H3
InChIKeyKAUYLBWZHHIKQC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds5

About 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine

2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine (PubChem CID 62479956) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
PubChem CID62479956
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
SMILESCC(C)(C)c1ccc(OCCCC2CCCN2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-8-10-16(11-9-14)19-13-5-7-15-6-4-12-18-15/h8-11,15,18H,4-7,12-13H2,1-3H3
InChIKeyKAUYLBWZHHIKQC-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106613622
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
CID 55076470
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
CID 112519355
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
1-(4-butoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 112512823
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine (CID 62479956) is 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine is CC(C)(C)c1ccc(OCCCC2CCCN2)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine?
The InChIKey is KAUYLBWZHHIKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)14-8-10-16(11-9-14)19-13-5-7-15-6-4-12-18-15/h8-11,15,18H,4-7,12-13H2,1-3H3.
What are the key properties of 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine?
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 62479956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).