bis(3-amino-4-methoxyphenyl)methanone

C15H16N2O3 — CID 755692

IUPACbis(3-amino-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C15H16N2O3/c1-19-13-5-3-9(7-11(13)16)15(18)10-4-6-14(20-2)12(17)8-10/h3-8H,16-17H2,1-2H3
InChIKeyBQHONQTZEHHWKX-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.10
Rot. Bonds4

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

bis(3-amino-4-methoxyphenyl)methanone (PubChem CID 755692) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is bis(3-amino-4-methoxyphenyl)methanone.

Molecular Properties

Compound Namebis(3-amino-4-methoxyphenyl)methanone
PubChem CID755692
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namebis(3-amino-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C15H16N2O3/c1-19-13-5-3-9(7-11(13)16)15(18)10-4-6-14(20-2)12(17)8-10/h3-8H,16-17H2,1-2H3
InChIKeyBQHONQTZEHHWKX-UHFFFAOYSA-N
XLogP2.10
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-amino-4-methoxyphenyl)methanone?
The IUPAC name of bis(3-amino-4-methoxyphenyl)methanone (CID 755692) is bis(3-amino-4-methoxyphenyl)methanone.
What is the SMILES notation for bis(3-amino-4-methoxyphenyl)methanone?
The canonical SMILES for bis(3-amino-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(OC)c(N)c2)cc1N.
What is the InChIKey of bis(3-amino-4-methoxyphenyl)methanone?
The InChIKey is BQHONQTZEHHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-13-5-3-9(7-11(13)16)15(18)10-4-6-14(20-2)12(17)8-10/h3-8H,16-17H2,1-2H3.
What are the key properties of bis(3-amino-4-methoxyphenyl)methanone?
bis(3-amino-4-methoxyphenyl)methanone has a molecular weight of 272.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-amino-4-methoxyphenyl)methanone is sourced from PubChem (CID 755692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).