(4-amino-3-methoxyphenyl)-phenylmethanone

C14H13NO2 — CID 22621274

IUPAC(4-amino-3-methoxyphenyl)-phenylmethanone
SMILESCOc1cc(C(=O)c2ccccc2)ccc1N
InChIInChI=1S/C14H13NO2/c1-17-13-9-11(7-8-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyPVTYWZZLUNGLHC-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.51
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-phenylmethanone

(4-amino-3-methoxyphenyl)-phenylmethanone (PubChem CID 22621274) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-phenylmethanone
PubChem CID22621274
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(4-amino-3-methoxyphenyl)-phenylmethanone
SMILESCOc1cc(C(=O)c2ccccc2)ccc1N
InChIInChI=1S/C14H13NO2/c1-17-13-9-11(7-8-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyPVTYWZZLUNGLHC-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-phenylmethanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-phenylmethanone (CID 22621274) is (4-amino-3-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-phenylmethanone is COc1cc(C(=O)c2ccccc2)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-phenylmethanone?
The InChIKey is PVTYWZZLUNGLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-13-9-11(7-8-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3.
What are the key properties of (4-amino-3-methoxyphenyl)-phenylmethanone?
(4-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 (4-amino-3-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 22621274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).