2-methoxy-4-phosphorosoaniline

C7H8NO2P — CID 148857801

IUPAC2-methoxy-4-phosphorosoaniline
SMILESCOc1cc(P=O)ccc1N
InChIInChI=1S/C7H8NO2P/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4H,8H2,1H3
InChIKeyOYSFOTQXCTXUMR-UHFFFAOYSA-N
MW169.12 g/mol
LogP1.19
Rot. Bonds2

About 2-methoxy-4-phosphorosoaniline

2-methoxy-4-phosphorosoaniline (PubChem CID 148857801) has the molecular formula C7H8NO2P and a molecular weight of 169.12 g/mol. Its IUPAC name is 2-methoxy-4-phosphorosoaniline.

Molecular Properties

Compound Name2-methoxy-4-phosphorosoaniline
PubChem CID148857801
Molecular FormulaC7H8NO2P
Molecular Weight169.12 g/mol
Exact Mass169.03
IUPAC Name2-methoxy-4-phosphorosoaniline
SMILESCOc1cc(P=O)ccc1N
InChIInChI=1S/C7H8NO2P/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4H,8H2,1H3
InChIKeyOYSFOTQXCTXUMR-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-phosphorosoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
CID 123653070
CID 123653070
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185
4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline
CID 156576071
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
(4-amino-3-methoxyphenyl)methanesulfinic acid
CID 89243186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-phosphorosoaniline?
The IUPAC name of 2-methoxy-4-phosphorosoaniline (CID 148857801) is 2-methoxy-4-phosphorosoaniline.
What is the SMILES notation for 2-methoxy-4-phosphorosoaniline?
The canonical SMILES for 2-methoxy-4-phosphorosoaniline is COc1cc(P=O)ccc1N.
What is the InChIKey of 2-methoxy-4-phosphorosoaniline?
The InChIKey is OYSFOTQXCTXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2P/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4H,8H2,1H3.
What are the key properties of 2-methoxy-4-phosphorosoaniline?
2-methoxy-4-phosphorosoaniline has a molecular weight of 169.12 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phosphorosoaniline is sourced from PubChem (CID 148857801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).