4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine

C22H28N2O — CID 72877986

IUPAC4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
SMILESc1ccc(-c2ccc(CN3CCCC3)cc2)c(CN2CCOCC2)c1
InChIInChI=1S/C22H28N2O/c1-2-6-22(21(5-1)18-24-13-15-25-16-14-24)20-9-7-19(8-10-20)17-23-11-3-4-12-23/h1-2,5-10H,3-4,11-18H2
InChIKeyXOTVKMCIQFOIQK-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.78
Rot. Bonds5

About 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine

4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine (PubChem CID 72877986) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
PubChem CID72877986
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
SMILESc1ccc(-c2ccc(CN3CCCC3)cc2)c(CN2CCOCC2)c1
InChIInChI=1S/C22H28N2O/c1-2-6-22(21(5-1)18-24-13-15-25-16-14-24)20-9-7-19(8-10-20)17-23-11-3-4-12-23/h1-2,5-10H,3-4,11-18H2
InChIKeyXOTVKMCIQFOIQK-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine (CID 72877986) is 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine is c1ccc(-c2ccc(CN3CCCC3)cc2)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
The InChIKey is XOTVKMCIQFOIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-6-22(21(5-1)18-24-13-15-25-16-14-24)20-9-7-19(8-10-20)17-23-11-3-4-12-23/h1-2,5-10H,3-4,11-18H2.
What are the key properties of 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine has a molecular weight of 336.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine is sourced from PubChem (CID 72877986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).