2-[3-(4-propylphenoxy)propyl]pyrrolidine

C16H25NO — CID 62548215

IUPAC2-[3-(4-propylphenoxy)propyl]pyrrolidine
SMILESCCCc1ccc(OCCCC2CCCN2)cc1
InChIInChI=1S/C16H25NO/c1-2-5-14-8-10-16(11-9-14)18-13-4-7-15-6-3-12-17-15/h8-11,15,17H,2-7,12-13H2,1H3
InChIKeyGNNUJMSYGGQGHT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds7

About 2-[3-(4-propylphenoxy)propyl]pyrrolidine

2-[3-(4-propylphenoxy)propyl]pyrrolidine (PubChem CID 62548215) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[3-(4-propylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(4-propylphenoxy)propyl]pyrrolidine
PubChem CID62548215
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[3-(4-propylphenoxy)propyl]pyrrolidine
SMILESCCCc1ccc(OCCCC2CCCN2)cc1
InChIInChI=1S/C16H25NO/c1-2-5-14-8-10-16(11-9-14)18-13-4-7-15-6-3-12-17-15/h8-11,15,17H,2-7,12-13H2,1H3
InChIKeyGNNUJMSYGGQGHT-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
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-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
CID 112519355
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
CID 55076470
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210378
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propylphenoxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(4-propylphenoxy)propyl]pyrrolidine (CID 62548215) is 2-[3-(4-propylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(4-propylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(4-propylphenoxy)propyl]pyrrolidine is CCCc1ccc(OCCCC2CCCN2)cc1.
What is the InChIKey of 2-[3-(4-propylphenoxy)propyl]pyrrolidine?
The InChIKey is GNNUJMSYGGQGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-5-14-8-10-16(11-9-14)18-13-4-7-15-6-3-12-17-15/h8-11,15,17H,2-7,12-13H2,1H3.
What are the key properties of 2-[3-(4-propylphenoxy)propyl]pyrrolidine?
2-[3-(4-propylphenoxy)propyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 62548215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).