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

C22H29NO2 — CID 170869436

IUPAC4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
SMILESCc1cc(CCCN2CCOCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C22H29NO2/c1-18-15-21(9-6-10-23-11-13-24-14-12-23)16-19(2)22(18)25-17-20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3
InChIKeyGJNPJPRTXUIVTC-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.15
Rot. Bonds7

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

4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine (PubChem CID 170869436) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
PubChem CID170869436
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
SMILESCc1cc(CCCN2CCOCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C22H29NO2/c1-18-15-21(9-6-10-23-11-13-24-14-12-23)16-19(2)22(18)25-17-20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3
InChIKeyGJNPJPRTXUIVTC-UHFFFAOYSA-N
XLogP4.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
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-methoxyphenyl)propyl]morpholine
CID 91901626
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine
CID 170870395
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine (CID 170869436) is 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine is Cc1cc(CCCN2CCOCC2)cc(C)c1OCc1ccccc1.
What is the InChIKey of 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine?
The InChIKey is GJNPJPRTXUIVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-18-15-21(9-6-10-23-11-13-24-14-12-23)16-19(2)22(18)25-17-20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3.
What are the key properties of 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine?
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine has a molecular weight of 339.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine is sourced from PubChem (CID 170869436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).