4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine

C22H29NO3 — CID 170869843

IUPAC4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-2-25-22-17-19(9-6-12-23-13-15-24-16-14-23)10-11-21(22)26-18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,2,6,9,12-16,18H2,1H3
InChIKeyWZPZJVUAFCCYDY-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.93
Rot. Bonds9

About 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine

4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine (PubChem CID 170869843) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
PubChem CID170869843
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-2-25-22-17-19(9-6-12-23-13-15-24-16-14-23)10-11-21(22)26-18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,2,6,9,12-16,18H2,1H3
InChIKeyWZPZJVUAFCCYDY-UHFFFAOYSA-N
XLogP3.93
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
CID 170870404
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415
4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
CID 170870173
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine (CID 170869843) is 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine is CCOc1cc(CCCN2CCOCC2)ccc1OCc1ccccc1.
What is the InChIKey of 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine?
The InChIKey is WZPZJVUAFCCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-2-25-22-17-19(9-6-12-23-13-15-24-16-14-23)10-11-21(22)26-18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,2,6,9,12-16,18H2,1H3.
What are the key properties of 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine?
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine has a molecular weight of 355.48 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine is sourced from PubChem (CID 170869843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).