4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine

C24H31NO4 — CID 166844739

IUPAC4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine
SMILESCOc1c(CCN2CCOCC2)cc(C2OCCO2)cc1-c1c(C)cccc1C
InChIInChI=1S/C24H31NO4/c1-17-5-4-6-18(2)22(17)21-16-20(24-28-13-14-29-24)15-19(23(21)26-3)7-8-25-9-11-27-12-10-25/h4-6,15-16,24H,7-14H2,1-3H3
InChIKeyFWOONPJLRNBSCE-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.90
Rot. Bonds6

About 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine

4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine (PubChem CID 166844739) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine
PubChem CID166844739
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine
SMILESCOc1c(CCN2CCOCC2)cc(C2OCCO2)cc1-c1c(C)cccc1C
InChIInChI=1S/C24H31NO4/c1-17-5-4-6-18(2)22(17)21-16-20(24-28-13-14-29-24)15-19(23(21)26-3)7-8-25-9-11-27-12-10-25/h4-6,15-16,24H,7-14H2,1-3H3
InChIKeyFWOONPJLRNBSCE-UHFFFAOYSA-N
XLogP3.90
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-3-(2-morpholin-4-ylethyl)benzoic acid;ethane
CID 171074585
4-[2-(2,7-dimethylindol-1-yl)ethyl]morpholine
CID 19366801
2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
CID 122548411
5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 59452886
4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
CID 137342586
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037
4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine
CID 170870605
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine (CID 166844739) is 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine is COc1c(CCN2CCOCC2)cc(C2OCCO2)cc1-c1c(C)cccc1C.
What is the InChIKey of 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine?
The InChIKey is FWOONPJLRNBSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-17-5-4-6-18(2)22(17)21-16-20(24-28-13-14-29-24)15-19(23(21)26-3)7-8-25-9-11-27-12-10-25/h4-6,15-16,24H,7-14H2,1-3H3.
What are the key properties of 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine?
4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine has a molecular weight of 397.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2,6-dimethylphenyl)-5-(1,3-dioxolan-2-yl)-2-methoxyphenyl]ethyl]morpholine is sourced from PubChem (CID 166844739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).