4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine

C14H19NO2 — CID 142501201

IUPAC4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine
SMILESCc1cc2c(cc1N1CCOCC1)O[C@@H](C)C2
InChIInChI=1S/C14H19NO2/c1-10-7-12-8-11(2)17-14(12)9-13(10)15-3-5-16-6-4-15/h7,9,11H,3-6,8H2,1-2H3/t11-/m0/s1
InChIKeyXDINAEPPXFNQMB-NSHDSACASA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds1

About 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine

4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine (PubChem CID 142501201) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine
PubChem CID142501201
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine
SMILESCc1cc2c(cc1N1CCOCC1)O[C@@H](C)C2
InChIInChI=1S/C14H19NO2/c1-10-7-12-8-11(2)17-14(12)9-13(10)15-3-5-16-6-4-15/h7,9,11H,3-6,8H2,1-2H3/t11-/m0/s1
InChIKeyXDINAEPPXFNQMB-NSHDSACASA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine with MolForge

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Related Compounds

4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 59485032
N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
CID 92626603
6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
CID 145338332
3-methyl-4-morpholin-4-ylaniline
CID 10607787
5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 4885817
(5Z)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6224306
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
4-(2,5-dimethyl-4-pyridinyl)morpholine;ethane
CID 177212902
6-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 70811025
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine?
The IUPAC name of 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine (CID 142501201) is 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine.
What is the SMILES notation for 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine?
The canonical SMILES for 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine is Cc1cc2c(cc1N1CCOCC1)O[C@@H](C)C2.
What is the InChIKey of 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine?
The InChIKey is XDINAEPPXFNQMB-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-7-12-8-11(2)17-14(12)9-13(10)15-3-5-16-6-4-15/h7,9,11H,3-6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine?
4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine has a molecular weight of 233.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine is sourced from PubChem (CID 142501201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).