1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine

C19H22ClNO — CID 91053394

IUPAC1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
SMILESClc1ccc(OCCCN2CCCC2)cc1-c1ccccc1
InChIInChI=1S/C19H22ClNO/c20-19-10-9-17(15-18(19)16-7-2-1-3-8-16)22-14-6-13-21-11-4-5-12-21/h1-3,7-10,15H,4-6,11-14H2
InChIKeyDZMDCULEENKKOL-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.87
Rot. Bonds6

About 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine

1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine (PubChem CID 91053394) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
PubChem CID91053394
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
SMILESClc1ccc(OCCCN2CCCC2)cc1-c1ccccc1
InChIInChI=1S/C19H22ClNO/c20-19-10-9-17(15-18(19)16-7-2-1-3-8-16)22-14-6-13-21-11-4-5-12-21/h1-3,7-10,15H,4-6,11-14H2
InChIKeyDZMDCULEENKKOL-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.87
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-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
4-phenylphenol;1-[3-(4-phenylphenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 161417756
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine
CID 142171774
3-benzyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10429768
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine (CID 91053394) is 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine is Clc1ccc(OCCCN2CCCC2)cc1-c1ccccc1.
What is the InChIKey of 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine?
The InChIKey is DZMDCULEENKKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-19-10-9-17(15-18(19)16-7-2-1-3-8-16)22-14-6-13-21-11-4-5-12-21/h1-3,7-10,15H,4-6,11-14H2.
What are the key properties of 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine?
1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine has a molecular weight of 315.84 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 91053394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).