1-[5-(2-chlorophenoxy)pentyl]pyrrolidine

C15H22ClNO — CID 2059007

IUPAC1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
SMILESClc1ccccc1OCCCCCN1CCCC1
InChIInChI=1S/C15H22ClNO/c16-14-8-2-3-9-15(14)18-13-7-1-4-10-17-11-5-6-12-17/h2-3,8-9H,1,4-7,10-13H2
InChIKeyLTOBVMVLWUNVSJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.98
Rot. Bonds7

About 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine

1-[5-(2-chlorophenoxy)pentyl]pyrrolidine (PubChem CID 2059007) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine.

Molecular Properties

Compound Name1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
PubChem CID2059007
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
SMILESClc1ccccc1OCCCCCN1CCCC1
InChIInChI=1S/C15H22ClNO/c16-14-8-2-3-9-15(14)18-13-7-1-4-10-17-11-5-6-12-17/h2-3,8-9H,1,4-7,10-13H2
InChIKeyLTOBVMVLWUNVSJ-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
2-[3-(azepan-1-yl)propyl]-1-[4-(2-chlorophenoxy)butyl]benzimidazole
CID 18885679
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 113276578
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine?
The IUPAC name of 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine (CID 2059007) is 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine.
What is the SMILES notation for 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine?
The canonical SMILES for 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine is Clc1ccccc1OCCCCCN1CCCC1.
What is the InChIKey of 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine?
The InChIKey is LTOBVMVLWUNVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-14-8-2-3-9-15(14)18-13-7-1-4-10-17-11-5-6-12-17/h2-3,8-9H,1,4-7,10-13H2.
What are the key properties of 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine?
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine has a molecular weight of 267.80 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenoxy)pentyl]pyrrolidine is sourced from PubChem (CID 2059007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).