4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine

C20H24ClNO2 — CID 3517731

IUPAC4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine
SMILESCc1cc(OCc2cccc(Cl)c2)c(C)cc1CN1CCOCC1
InChIInChI=1S/C20H24ClNO2/c1-15-11-20(24-14-17-4-3-5-19(21)12-17)16(2)10-18(15)13-22-6-8-23-9-7-22/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyCUIUEXNTAMQGBK-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.37
Rot. Bonds5

About 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine

4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine (PubChem CID 3517731) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine
PubChem CID3517731
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine
SMILESCc1cc(OCc2cccc(Cl)c2)c(C)cc1CN1CCOCC1
InChIInChI=1S/C20H24ClNO2/c1-15-11-20(24-14-17-4-3-5-19(21)12-17)16(2)10-18(15)13-22-6-8-23-9-7-22/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyCUIUEXNTAMQGBK-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870445
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538087
4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
CID 43342532
[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19323630
1-[[4-[(3,4-dichlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930599
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
[2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 4-iodobenzenesulfonate
CID 2766349
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine (CID 3517731) is 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine is Cc1cc(OCc2cccc(Cl)c2)c(C)cc1CN1CCOCC1.
What is the InChIKey of 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine?
The InChIKey is CUIUEXNTAMQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-15-11-20(24-14-17-4-3-5-19(21)12-17)16(2)10-18(15)13-22-6-8-23-9-7-22/h3-5,10-12H,6-9,13-14H2,1-2H3.
What are the key properties of 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine?
4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine has a molecular weight of 345.87 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine is sourced from PubChem (CID 3517731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).