4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine

C20H24N2O — CID 13041711

IUPAC4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
SMILESc1ccc(CN2Cc3ccccc3C2)c(CN2CCOCC2)c1
InChIInChI=1S/C20H24N2O/c1-2-6-18(17(5-1)13-21-9-11-23-12-10-21)14-22-15-19-7-3-4-8-20(19)16-22/h1-8H,9-16H2
InChIKeyHEVGFDLKKREEJE-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.03
Rot. Bonds4

About 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine

4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine (PubChem CID 13041711) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
PubChem CID13041711
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
SMILESc1ccc(CN2Cc3ccccc3C2)c(CN2CCOCC2)c1
InChIInChI=1S/C20H24N2O/c1-2-6-18(17(5-1)13-21-9-11-23-12-10-21)14-22-15-19-7-3-4-8-20(19)16-22/h1-8H,9-16H2
InChIKeyHEVGFDLKKREEJE-UHFFFAOYSA-N
XLogP3.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
CID 53488026
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
CID 131887032
CID 131887032
4-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)morpholine
CID 28775243
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
4-[(2-azidophenyl)methyl]morpholine
CID 151936808
3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
N-benzyl-2-(morpholin-4-ylmethyl)aniline
CID 56787279

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine (CID 13041711) is 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine is c1ccc(CN2Cc3ccccc3C2)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine?
The InChIKey is HEVGFDLKKREEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-6-18(17(5-1)13-21-9-11-23-12-10-21)14-22-15-19-7-3-4-8-20(19)16-22/h1-8H,9-16H2.
What are the key properties of 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine?
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine has a molecular weight of 308.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 13041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).