methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate

C14H21NO3 — CID 142778470

IUPACmethyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate
SMILESCOC(=O)Cc1cc(OCCN)ccc1C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)13-5-4-12(18-7-6-15)8-11(13)9-14(16)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyMEGPIWMZTYKEIL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.86
Rot. Bonds6

About methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate

methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate (PubChem CID 142778470) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate
PubChem CID142778470
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate
SMILESCOC(=O)Cc1cc(OCCN)ccc1C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)13-5-4-12(18-7-6-15)8-11(13)9-14(16)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyMEGPIWMZTYKEIL-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-3-propan-2-ylphenoxy)ethanamine
CID 146289761
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
CID 11821525
3-(5-hydroperoxy-2-propan-2-ylphenyl)-1,1-dihydroxypropan-2-one
CID 118450598
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
CID 107717592
2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83941785

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate?
The IUPAC name of methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate (CID 142778470) is methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate.
What is the SMILES notation for methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate?
The canonical SMILES for methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate is COC(=O)Cc1cc(OCCN)ccc1C(C)C.
What is the InChIKey of methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate?
The InChIKey is MEGPIWMZTYKEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)13-5-4-12(18-7-6-15)8-11(13)9-14(16)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate?
methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate is sourced from PubChem (CID 142778470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).