(2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone

C16H17NO4 — CID 10880697

IUPAC(2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-10(9-14(20-2)16(13)21-3)15(18)11-6-4-5-7-12(11)17/h4-9H,17H2,1-3H3
InChIKeyUUWNPIZRFIINAA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.53
Rot. Bonds5

About (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone

(2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10880697) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10880697
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name(2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-10(9-14(20-2)16(13)21-3)15(18)11-6-4-5-7-12(11)17/h4-9H,17H2,1-3H3
InChIKeyUUWNPIZRFIINAA-UHFFFAOYSA-N
XLogP2.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 10880697) is (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccccc2N)cc(OC)c1OC.
What is the InChIKey of (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UUWNPIZRFIINAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-8-10(9-14(20-2)16(13)21-3)15(18)11-6-4-5-7-12(11)17/h4-9H,17H2,1-3H3.
What are the key properties of (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
(2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 287.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10880697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).