4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine

C18H25ClN2O2 — CID 75520123

IUPAC4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
SMILESClc1cc2c(c(CN3CCC(CN4CCOCC4)C3)c1)OCC2
InChIInChI=1S/C18H25ClN2O2/c19-17-9-15-2-6-23-18(15)16(10-17)13-21-3-1-14(12-21)11-20-4-7-22-8-5-20/h9-10,14H,1-8,11-13H2
InChIKeyDMIXGASIPJNJGV-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.43
Rot. Bonds4

About 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine

4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine (PubChem CID 75520123) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
PubChem CID75520123
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
SMILESClc1cc2c(c(CN3CCC(CN4CCOCC4)C3)c1)OCC2
InChIInChI=1S/C18H25ClN2O2/c19-17-9-15-2-6-23-18(15)16(10-17)13-21-3-1-14(12-21)11-20-4-7-22-8-5-20/h9-10,14H,1-8,11-13H2
InChIKeyDMIXGASIPJNJGV-UHFFFAOYSA-N
XLogP2.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine (CID 75520123) is 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine is Clc1cc2c(c(CN3CCC(CN4CCOCC4)C3)c1)OCC2.
What is the InChIKey of 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
The InChIKey is DMIXGASIPJNJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-17-9-15-2-6-23-18(15)16(10-17)13-21-3-1-14(12-21)11-20-4-7-22-8-5-20/h9-10,14H,1-8,11-13H2.
What are the key properties of 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine has a molecular weight of 336.86 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 75520123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).