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

C21H31ClN2O2 — CID 68618870

IUPAC4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine
SMILESCC(c1ccc(OC2CC(CN3CCOCC3)C2)cc1Cl)N1CCCC1
InChIInChI=1S/C21H31ClN2O2/c1-16(24-6-2-3-7-24)20-5-4-18(14-21(20)22)26-19-12-17(13-19)15-23-8-10-25-11-9-23/h4-5,14,16-17,19H,2-3,6-13,15H2,1H3
InChIKeyUHGXVZXIEWPFIZ-UHFFFAOYSA-N
MW378.94 g/mol
LogP3.99
Rot. Bonds6

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

4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine (PubChem CID 68618870) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is 4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine
PubChem CID68618870
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine
SMILESCC(c1ccc(OC2CC(CN3CCOCC3)C2)cc1Cl)N1CCCC1
InChIInChI=1S/C21H31ClN2O2/c1-16(24-6-2-3-7-24)20-5-4-18(14-21(20)22)26-19-12-17(13-19)15-23-8-10-25-11-9-23/h4-5,14,16-17,19H,2-3,6-13,15H2,1H3
InChIKeyUHGXVZXIEWPFIZ-UHFFFAOYSA-N
XLogP3.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 53.99
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-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine (CID 68618870) is 4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine is CC(c1ccc(OC2CC(CN3CCOCC3)C2)cc1Cl)N1CCCC1.
What is the InChIKey of 4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine?
The InChIKey is UHGXVZXIEWPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O2/c1-16(24-6-2-3-7-24)20-5-4-18(14-21(20)22)26-19-12-17(13-19)15-23-8-10-25-11-9-23/h4-5,14,16-17,19H,2-3,6-13,15H2,1H3.
What are the key properties of 4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine?
4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine has a molecular weight of 378.94 g/mol, XLogP of 3.99, 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-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine is sourced from PubChem (CID 68618870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).