2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone

C16H17NO3 — CID 123684387

IUPAC2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone
SMILESCOC(N)C(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H17NO3/c1-19-16(17)15(18)14-10-6-5-7-12(14)11-20-13-8-3-2-4-9-13/h2-10,16H,11,17H2,1H3
InChIKeyBEGDXKZHVSRRGC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds6

About 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone

2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone (PubChem CID 123684387) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone
PubChem CID123684387
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone
SMILESCOC(N)C(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H17NO3/c1-19-16(17)15(18)14-10-6-5-7-12(14)11-20-13-8-3-2-4-9-13/h2-10,16H,11,17H2,1H3
InChIKeyBEGDXKZHVSRRGC-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone
CID 118160863
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949391
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
CID 39467394
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
4-[1-[2-(phenoxymethyl)phenyl]ethenyl]benzoic acid
CID 22400872

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone?
The IUPAC name of 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone (CID 123684387) is 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone is COC(N)C(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone?
The InChIKey is BEGDXKZHVSRRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-16(17)15(18)14-10-6-5-7-12(14)11-20-13-8-3-2-4-9-13/h2-10,16H,11,17H2,1H3.
What are the key properties of 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone?
2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone is sourced from PubChem (CID 123684387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).