4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine

C22H29NO3 — CID 170870431

IUPAC4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCc1cccc(C)c1
InChIInChI=1S/C22H29NO3/c1-18-6-3-7-19(16-18)17-26-22-20(8-4-10-21(22)24-2)9-5-11-23-12-14-25-15-13-23/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3
InChIKeyOUHMSOYUNFTKKD-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.85
Rot. Bonds8

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

4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine (PubChem CID 170870431) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
PubChem CID170870431
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCc1cccc(C)c1
InChIInChI=1S/C22H29NO3/c1-18-6-3-7-19(16-18)17-26-22-20(8-4-10-21(22)24-2)9-5-11-23-12-14-25-15-13-23/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3
InChIKeyOUHMSOYUNFTKKD-UHFFFAOYSA-N
XLogP3.85
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870445
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870456
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722023
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 4719784

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine (CID 170870431) is 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine is COc1cccc(CCCN2CCOCC2)c1OCc1cccc(C)c1.
What is the InChIKey of 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine?
The InChIKey is OUHMSOYUNFTKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-18-6-3-7-19(16-18)17-26-22-20(8-4-10-21(22)24-2)9-5-11-23-12-14-25-15-13-23/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3.
What are the key properties of 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine?
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine has a molecular weight of 355.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine is sourced from PubChem (CID 170870431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).