4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine

C20H29ClN2O2 — CID 68618873

IUPAC4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine
SMILESClc1cc(CN2CCCC2)cc(OC2CC(CN3CCOCC3)C2)c1
InChIInChI=1S/C20H29ClN2O2/c21-18-9-16(14-22-3-1-2-4-22)10-20(13-18)25-19-11-17(12-19)15-23-5-7-24-8-6-23/h9-10,13,17,19H,1-8,11-12,14-15H2
InChIKeyLZJBETVIVDFDKM-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.43
Rot. Bonds6

About 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine

4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine (PubChem CID 68618873) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine
PubChem CID68618873
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine
SMILESClc1cc(CN2CCCC2)cc(OC2CC(CN3CCOCC3)C2)c1
InChIInChI=1S/C20H29ClN2O2/c21-18-9-16(14-22-3-1-2-4-22)10-20(13-18)25-19-11-17(12-19)15-23-5-7-24-8-6-23/h9-10,13,17,19H,1-8,11-12,14-15H2
InChIKeyLZJBETVIVDFDKM-UHFFFAOYSA-N
XLogP3.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine (CID 68618873) is 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine is Clc1cc(CN2CCCC2)cc(OC2CC(CN3CCOCC3)C2)c1.
What is the InChIKey of 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine?
The InChIKey is LZJBETVIVDFDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c21-18-9-16(14-22-3-1-2-4-22)10-20(13-18)25-19-11-17(12-19)15-23-5-7-24-8-6-23/h9-10,13,17,19H,1-8,11-12,14-15H2.
What are the key properties of 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine?
4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine has a molecular weight of 364.92 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine is sourced from PubChem (CID 68618873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).