3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine

C14H21NO2 — CID 116928186

IUPAC3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
SMILESCOc1ccc(CCC2COCCN2)cc1C
InChIInChI=1S/C14H21NO2/c1-11-9-12(4-6-14(11)16-2)3-5-13-10-17-8-7-15-13/h4,6,9,13,15H,3,5,7-8,10H2,1-2H3
InChIKeyZDFURWAYBVCQHT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds4

About 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine

3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine (PubChem CID 116928186) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
PubChem CID116928186
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
SMILESCOc1ccc(CCC2COCCN2)cc1C
InChIInChI=1S/C14H21NO2/c1-11-9-12(4-6-14(11)16-2)3-5-13-10-17-8-7-15-13/h4,6,9,13,15H,3,5,7-8,10H2,1-2H3
InChIKeyZDFURWAYBVCQHT-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
CID 116928232
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
3-(2-phenylethyl)morpholine
CID 54013840
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine?
The IUPAC name of 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine (CID 116928186) is 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine?
The canonical SMILES for 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine is COc1ccc(CCC2COCCN2)cc1C.
What is the InChIKey of 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine?
The InChIKey is ZDFURWAYBVCQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-9-12(4-6-14(11)16-2)3-5-13-10-17-8-7-15-13/h4,6,9,13,15H,3,5,7-8,10H2,1-2H3.
What are the key properties of 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine?
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine is sourced from PubChem (CID 116928186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).