2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine

C19H23NO3 — CID 68599939

IUPAC2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
SMILESCOc1cc(C)ccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C19H23NO3/c1-14-8-9-16(17(12-14)21-2)23-19(15-6-4-3-5-7-15)18-13-20-10-11-22-18/h3-9,12,18-20H,10-11,13H2,1-2H3
InChIKeyPLCUZCHZWOTNBA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds5

About 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine

2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine (PubChem CID 68599939) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
PubChem CID68599939
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
SMILESCOc1cc(C)ccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C19H23NO3/c1-14-8-9-16(17(12-14)21-2)23-19(15-6-4-3-5-7-15)18-13-20-10-11-22-18/h3-9,12,18-20H,10-11,13H2,1-2H3
InChIKeyPLCUZCHZWOTNBA-UHFFFAOYSA-N
XLogP3.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484
(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68598787
2-[(4-methylphenoxy)-phenylmethyl]morpholine
CID 3029454
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
2-[(4-chloro-3-methoxyphenoxy)-phenylmethyl]morpholine
CID 68599492
(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
CID 68598616
2-[(2-ethoxyphenoxy)-(4-methylphenyl)methyl]morpholine
CID 74337094
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine
CID 11709415
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine?
The IUPAC name of 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine (CID 68599939) is 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine is COc1cc(C)ccc1OC(c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine?
The InChIKey is PLCUZCHZWOTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-8-9-16(17(12-14)21-2)23-19(15-6-4-3-5-7-15)18-13-20-10-11-22-18/h3-9,12,18-20H,10-11,13H2,1-2H3.
What are the key properties of 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine?
2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68599939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).