4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine

C22H29NO4 — CID 170869415

IUPAC4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C22H29NO4/c1-24-20-15-19(9-6-10-23-11-13-26-14-12-23)16-21(22(20)25-2)27-17-18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3
InChIKeyLZEMLOWGFGJGMG-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.55
Rot. Bonds9

About 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine

4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine (PubChem CID 170869415) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
PubChem CID170869415
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C22H29NO4/c1-24-20-15-19(9-6-10-23-11-13-26-14-12-23)16-21(22(20)25-2)27-17-18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3
InChIKeyLZEMLOWGFGJGMG-UHFFFAOYSA-N
XLogP3.55
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
CID 170870300
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301
4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870445

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine (CID 170869415) is 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine is COc1cc(CCCN2CCOCC2)cc(OCc2ccccc2)c1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine?
The InChIKey is LZEMLOWGFGJGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-24-20-15-19(9-6-10-23-11-13-26-14-12-23)16-21(22(20)25-2)27-17-18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3.
What are the key properties of 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine?
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine has a molecular weight of 371.48 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine is sourced from PubChem (CID 170869415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).