2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine

C15H20ClNO2 — CID 81209600

IUPAC2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CC1Cc2ccccc2O1
InChIInChI=1S/C15H20ClNO2/c1-11-10-18-14(7-16)9-17(11)8-13-6-12-4-2-3-5-15(12)19-13/h2-5,11,13-14H,6-10H2,1H3
InChIKeyIYSYRKYDXAXYAS-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.32
Rot. Bonds3

About 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine

2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine (PubChem CID 81209600) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine
PubChem CID81209600
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CC1Cc2ccccc2O1
InChIInChI=1S/C15H20ClNO2/c1-11-10-18-14(7-16)9-17(11)8-13-6-12-4-2-3-5-15(12)19-13/h2-5,11,13-14H,6-10H2,1H3
InChIKeyIYSYRKYDXAXYAS-UHFFFAOYSA-N
XLogP2.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-4-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methylmorpholine
CID 81209834
[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine
CID 81216887
5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine
CID 64947751
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
CID 62234271
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine
CID 81209952
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62233193
1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine (CID 81209600) is 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine is CC1COC(CCl)CN1CC1Cc2ccccc2O1.
What is the InChIKey of 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine?
The InChIKey is IYSYRKYDXAXYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-10-18-14(7-16)9-17(11)8-13-6-12-4-2-3-5-15(12)19-13/h2-5,11,13-14H,6-10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine?
2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine has a molecular weight of 281.78 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine is sourced from PubChem (CID 81209600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).