[3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate

C20H25NO3 — CID 58083163

IUPAC[3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate
SMILESCC(=O)OCc1cccc(-c2c(C)cc(OCCN)cc2C)c1C
InChIInChI=1S/C20H25NO3/c1-13-10-18(23-9-8-21)11-14(2)20(13)19-7-5-6-17(15(19)3)12-24-16(4)22/h5-7,10-11H,8-9,12,21H2,1-4H3
InChIKeyLNUKEFKOSWDQSY-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.68
Rot. Bonds6

About [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate

[3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate (PubChem CID 58083163) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate.

Molecular Properties

Compound Name[3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate
PubChem CID58083163
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate
SMILESCC(=O)OCc1cccc(-c2c(C)cc(OCCN)cc2C)c1C
InChIInChI=1S/C20H25NO3/c1-13-10-18(23-9-8-21)11-14(2)20(13)19-7-5-6-17(15(19)3)12-24-16(4)22/h5-7,10-11H,8-9,12,21H2,1-4H3
InChIKeyLNUKEFKOSWDQSY-UHFFFAOYSA-N
XLogP3.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2-methylphenyl]methanol
CID 58082934
sodium 2-[3-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-9H-fluoren-9-yl]acetate
CID 66725827
[4-[4-(3-formyl-2-methylphenyl)-3,5-dimethylphenoxy]-2-methylbutan-2-yl] acetate
CID 58083007
[3-(acetyloxymethyl)-2-[2-(4-methylphenoxy)ethoxy]phenyl]methyl acetate
CID 118047643
4-[[3-[4-[(2R)-2-hydroxy-3-methoxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 89039088
2-[6-[[3-[4-(3-fluoropropoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[3H-1-benzofuran-2,1'-cyclopropane]-3-yl]acetic acid
CID 58082982
7-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]heptan-1-amine
CID 21281226
[2-[3-(hydroxymethyl)phenyl]-3-methyl-5-(3-methylsulfonylpropoxy)phenyl]methyl acetate
CID 59342573
ethane;(2-methylphenyl)methyl acetate
CID 143177732
sodium;acetic acid;4-[3,5-dimethyl-4-[2-methyl-3-(spiro[3H-1-benzofuran-3-ide-2,1'-cyclopropane]-6-yloxymethyl)phenyl]phenoxy]-2-methylbutan-2-ol
CID 162245591
4-[[3-[4-(2,3-dihydroxy-2-methylpropoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 59544558
5-[4-[[3-[4-[(3R)-3-hydroxybutoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67986881

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate?
The IUPAC name of [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate (CID 58083163) is [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate.
What is the SMILES notation for [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate?
The canonical SMILES for [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate is CC(=O)OCc1cccc(-c2c(C)cc(OCCN)cc2C)c1C.
What is the InChIKey of [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate?
The InChIKey is LNUKEFKOSWDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13-10-18(23-9-8-21)11-14(2)20(13)19-7-5-6-17(15(19)3)12-24-16(4)22/h5-7,10-11H,8-9,12,21H2,1-4H3.
What are the key properties of [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate?
[3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate has a molecular weight of 327.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-aminoethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methyl acetate is sourced from PubChem (CID 58083163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).