ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate

C17H19NO3 — CID 54494277

IUPACethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(Oc2ccccc2CN)c1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)11-13-6-5-8-15(10-13)21-16-9-4-3-7-14(16)12-18/h3-10H,2,11-12,18H2,1H3
InChIKeyXXYOBVOYPNFZBK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.04
Rot. Bonds6

About ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate

ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate (PubChem CID 54494277) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
PubChem CID54494277
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(Oc2ccccc2CN)c1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)11-13-6-5-8-15(10-13)21-16-9-4-3-7-14(16)12-18/h3-10H,2,11-12,18H2,1H3
InChIKeyXXYOBVOYPNFZBK-UHFFFAOYSA-N
XLogP3.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[2-[3-(aminomethyl)phenoxy]phenyl]methanol
CID 63942730
ethyl 2-(3-cyclopropyloxyphenyl)acetate
CID 114522675
ethyl 2-phenylacetate
CID 7590
ethyl 2-[3-[2-[[methyl(2-phenylethyl)amino]methyl]-4-nitrophenoxy]phenyl]acetate
CID 66875351
butyl 2-(3-phenoxyphenyl)acetate
CID 22123808
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
CID 91335727
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 11974616
[3-(2-ethoxy-2-oxoethyl)phenyl]boronic acid
CID 53216302
ethyl 2-phenylacetate;hydrate
CID 141257001
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate (CID 54494277) is ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate is CCOC(=O)Cc1cccc(Oc2ccccc2CN)c1.
What is the InChIKey of ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate?
The InChIKey is XXYOBVOYPNFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-20-17(19)11-13-6-5-8-15(10-13)21-16-9-4-3-7-14(16)12-18/h3-10H,2,11-12,18H2,1H3.
What are the key properties of ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate?
ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate has a molecular weight of 285.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate is sourced from PubChem (CID 54494277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).