4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine

C17H25NO — CID 19911279

IUPAC4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine
SMILESC=C(C)c1ccc(CC(C)CN2CCOCC2)cc1
InChIInChI=1S/C17H25NO/c1-14(2)17-6-4-16(5-7-17)12-15(3)13-18-8-10-19-11-9-18/h4-7,15H,1,8-13H2,2-3H3
InChIKeyGVWJRFGTTJFVIS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.23
Rot. Bonds5

About 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine

4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine (PubChem CID 19911279) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine
PubChem CID19911279
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine
SMILESC=C(C)c1ccc(CC(C)CN2CCOCC2)cc1
InChIInChI=1S/C17H25NO/c1-14(2)17-6-4-16(5-7-17)12-15(3)13-18-8-10-19-11-9-18/h4-7,15H,1,8-13H2,2-3H3
InChIKeyGVWJRFGTTJFVIS-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 93365
CID 93365
CID 91694
CID 91694
CID 54260
CID 54260
CID 91695
CID 91695
CID 54259
CID 54259
CID 240345
CID 240345
CID 782728
CID 782728
CID 2845822
CID 2845822
CID 9903343
CID 9903343
CID 9992101
CID 9992101
CID 11313056
CID 11313056
CID 70362
CID 70362

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine?
The IUPAC name of 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine (CID 19911279) is 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine?
The canonical SMILES for 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine is C=C(C)c1ccc(CC(C)CN2CCOCC2)cc1.
What is the InChIKey of 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine?
The InChIKey is GVWJRFGTTJFVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)17-6-4-16(5-7-17)12-15(3)13-18-8-10-19-11-9-18/h4-7,15H,1,8-13H2,2-3H3.
What are the key properties of 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine?
4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine has a molecular weight of 259.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine is sourced from PubChem (CID 19911279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).