(2-amino-3-methoxyphenyl)-phenylmethanone

C14H13NO2 — CID 18185399

IUPAC(2-amino-3-methoxyphenyl)-phenylmethanone
SMILESCOc1cccc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C14H13NO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-9H,15H2,1H3
InChIKeyOWXIDQBQFOPJGS-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.51
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-phenylmethanone

(2-amino-3-methoxyphenyl)-phenylmethanone (PubChem CID 18185399) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-phenylmethanone
PubChem CID18185399
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(2-amino-3-methoxyphenyl)-phenylmethanone
SMILESCOc1cccc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C14H13NO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-9H,15H2,1H3
InChIKeyOWXIDQBQFOPJGS-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107469289
2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
CID 67694082
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
ethane;methyl 2-(2-amino-3-methoxyphenyl)-2-oxoacetate
CID 145133891
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
sodium;2-benzoyl-6-methoxybenzenesulfonoperoxoic acid;hydride
CID 173081340
(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 107469137

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-phenylmethanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-phenylmethanone (CID 18185399) is (2-amino-3-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-phenylmethanone is COc1cccc(C(=O)c2ccccc2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-phenylmethanone?
The InChIKey is OWXIDQBQFOPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-9H,15H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-phenylmethanone?
(2-amino-3-methoxyphenyl)-phenylmethanone has a molecular weight of 227.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 18185399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).