3-[(2-methoxy-5-methylphenyl)methyl]morpholine

C13H19NO2 — CID 82286569

IUPAC3-[(2-methoxy-5-methylphenyl)methyl]morpholine
SMILESCOc1ccc(C)cc1CC1COCCN1
InChIInChI=1S/C13H19NO2/c1-10-3-4-13(15-2)11(7-10)8-12-9-16-6-5-14-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyCXXQNOKPJRKOIJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds3

About 3-[(2-methoxy-5-methylphenyl)methyl]morpholine

3-[(2-methoxy-5-methylphenyl)methyl]morpholine (PubChem CID 82286569) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)methyl]morpholine
PubChem CID82286569
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(2-methoxy-5-methylphenyl)methyl]morpholine
SMILESCOc1ccc(C)cc1CC1COCCN1
InChIInChI=1S/C13H19NO2/c1-10-3-4-13(15-2)11(7-10)8-12-9-16-6-5-14-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyCXXQNOKPJRKOIJ-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
CID 116928232
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
3-[[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 106950876
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl]morpholine?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl]morpholine (CID 82286569) is 3-[(2-methoxy-5-methylphenyl)methyl]morpholine.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)methyl]morpholine?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)methyl]morpholine is COc1ccc(C)cc1CC1COCCN1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)methyl]morpholine?
The InChIKey is CXXQNOKPJRKOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-3-4-13(15-2)11(7-10)8-12-9-16-6-5-14-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(2-methoxy-5-methylphenyl)methyl]morpholine?
3-[(2-methoxy-5-methylphenyl)methyl]morpholine has a molecular weight of 221.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)methyl]morpholine is sourced from PubChem (CID 82286569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).