4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine

C24H33NO4 — CID 146233234

IUPAC4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine
SMILESCOc1ccc(CCCC2=CCC(OCCN3CCOCC3)=CC=C2)cc1OC
InChIInChI=1S/C24H33NO4/c1-26-23-12-10-21(19-24(23)27-2)7-3-5-20-6-4-8-22(11-9-20)29-18-15-25-13-16-28-17-14-25/h4,6,8-10,12,19H,3,5,7,11,13-18H2,1-2H3
InChIKeyVMGIRNKMPMZKMX-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.15
Rot. Bonds10

About 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine

4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine (PubChem CID 146233234) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine
PubChem CID146233234
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine
SMILESCOc1ccc(CCCC2=CCC(OCCN3CCOCC3)=CC=C2)cc1OC
InChIInChI=1S/C24H33NO4/c1-26-23-12-10-21(19-24(23)27-2)7-3-5-20-6-4-8-22(11-9-20)29-18-15-25-13-16-28-17-14-25/h4,6,8-10,12,19H,3,5,7,11,13-18H2,1-2H3
InChIKeyVMGIRNKMPMZKMX-UHFFFAOYSA-N
XLogP4.15
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
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-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine (CID 146233234) is 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine is COc1ccc(CCCC2=CCC(OCCN3CCOCC3)=CC=C2)cc1OC.
What is the InChIKey of 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine?
The InChIKey is VMGIRNKMPMZKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-26-23-12-10-21(19-24(23)27-2)7-3-5-20-6-4-8-22(11-9-20)29-18-15-25-13-16-28-17-14-25/h4,6,8-10,12,19H,3,5,7,11,13-18H2,1-2H3.
What are the key properties of 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine?
4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine has a molecular weight of 399.53 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[3-(3,4-dimethoxyphenyl)propyl]cyclohepta-1,3,5-trien-1-yl]oxyethyl]morpholine is sourced from PubChem (CID 146233234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).