2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine

C17H27NO — CID 112519355

IUPAC2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
SMILESCC(C)(C)Oc1ccc(CCCC2CCCN2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)19-16-11-9-14(10-12-16)6-4-7-15-8-5-13-18-15/h9-12,15,18H,4-8,13H2,1-3H3
InChIKeySBANHLUQRSEWPG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds5

About 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine

2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine (PubChem CID 112519355) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
PubChem CID112519355
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
SMILESCC(C)(C)Oc1ccc(CCCC2CCCN2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)19-16-11-9-14(10-12-16)6-4-7-15-8-5-13-18-15/h9-12,15,18H,4-8,13H2,1-3H3
InChIKeySBANHLUQRSEWPG-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 117231618
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine
CID 112519352
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
CID 112518591

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine?
The IUPAC name of 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine (CID 112519355) is 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine.
What is the SMILES notation for 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine?
The canonical SMILES for 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine is CC(C)(C)Oc1ccc(CCCC2CCCN2)cc1.
What is the InChIKey of 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine?
The InChIKey is SBANHLUQRSEWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)19-16-11-9-14(10-12-16)6-4-7-15-8-5-13-18-15/h9-12,15,18H,4-8,13H2,1-3H3.
What are the key properties of 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine?
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine is sourced from PubChem (CID 112519355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).