phenylmethoxymethyl 2-(3-aminophenyl)acetate

C16H17NO3 — CID 102940348

IUPACphenylmethoxymethyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OCOCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c17-15-8-4-7-14(9-15)10-16(18)20-12-19-11-13-5-2-1-3-6-13/h1-9H,10-12,17H2
InChIKeyZIJHRGFCTITAQC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds6

About phenylmethoxymethyl 2-(3-aminophenyl)acetate

phenylmethoxymethyl 2-(3-aminophenyl)acetate (PubChem CID 102940348) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is phenylmethoxymethyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Namephenylmethoxymethyl 2-(3-aminophenyl)acetate
PubChem CID102940348
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namephenylmethoxymethyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OCOCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c17-15-8-4-7-14(9-15)10-16(18)20-12-19-11-13-5-2-1-3-6-13/h1-9H,10-12,17H2
InChIKeyZIJHRGFCTITAQC-UHFFFAOYSA-N
XLogP2.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
2,2-difluoroethyl 2-(3-aminophenyl)acetate
CID 62500335
(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
CID 62499206
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
3-(chloromethyl)aniline;methyl 2-phenylacetate
CID 18329589
2-(3-aminophenyl)acetic acid;2-phenylacetamide
CID 157497347
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate
CID 114348583

Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethyl 2-(3-aminophenyl)acetate?
The IUPAC name of phenylmethoxymethyl 2-(3-aminophenyl)acetate (CID 102940348) is phenylmethoxymethyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for phenylmethoxymethyl 2-(3-aminophenyl)acetate?
The canonical SMILES for phenylmethoxymethyl 2-(3-aminophenyl)acetate is Nc1cccc(CC(=O)OCOCc2ccccc2)c1.
What is the InChIKey of phenylmethoxymethyl 2-(3-aminophenyl)acetate?
The InChIKey is ZIJHRGFCTITAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-15-8-4-7-14(9-15)10-16(18)20-12-19-11-13-5-2-1-3-6-13/h1-9H,10-12,17H2.
What are the key properties of phenylmethoxymethyl 2-(3-aminophenyl)acetate?
phenylmethoxymethyl 2-(3-aminophenyl)acetate has a molecular weight of 271.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxymethyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 102940348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).