(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone

C15H15NO3 — CID 22229235

IUPAC(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OC)cc2N)c1
InChIInChI=1S/C15H15NO3/c1-18-11-5-3-4-10(8-11)15(17)13-7-6-12(19-2)9-14(13)16/h3-9H,16H2,1-2H3
InChIKeyZMZPWBBFWJOQMW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.52
Rot. Bonds4

About (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone

(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone (PubChem CID 22229235) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
PubChem CID22229235
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OC)cc2N)c1
InChIInChI=1S/C15H15NO3/c1-18-11-5-3-4-10(8-11)15(17)13-7-6-12(19-2)9-14(13)16/h3-9H,16H2,1-2H3
InChIKeyZMZPWBBFWJOQMW-UHFFFAOYSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-4-methoxyphenyl)-pyrimidin-5-ylmethanone
CID 116602325
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
(2-amino-4-bromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 116591865
S-[5-methoxy-2-(3-methoxybenzoyl)phenyl] N,N-dimethylcarbamothioate
CID 20792740
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
CID 114029861
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone (CID 22229235) is (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(OC)cc2N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone?
The InChIKey is ZMZPWBBFWJOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-11-5-3-4-10(8-11)15(17)13-7-6-12(19-2)9-14(13)16/h3-9H,16H2,1-2H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone?
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone has a molecular weight of 257.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 22229235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).