2-iodo-4-methyl-6-methylphosphanylaniline

C8H11INP — CID 155131502

IUPAC2-iodo-4-methyl-6-methylphosphanylaniline
SMILESCPc1cc(C)cc(I)c1N
InChIInChI=1S/C8H11INP/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4,11H,10H2,1-2H3
InChIKeyBDNONIFRVUSOLN-UHFFFAOYSA-N
MW279.06 g/mol
LogP2.12
Rot. Bonds1

About 2-iodo-4-methyl-6-methylphosphanylaniline

2-iodo-4-methyl-6-methylphosphanylaniline (PubChem CID 155131502) has the molecular formula C8H11INP and a molecular weight of 279.06 g/mol. Its IUPAC name is 2-iodo-4-methyl-6-methylphosphanylaniline.

Molecular Properties

Compound Name2-iodo-4-methyl-6-methylphosphanylaniline
PubChem CID155131502
Molecular FormulaC8H11INP
Molecular Weight279.06 g/mol
Exact Mass278.97
IUPAC Name2-iodo-4-methyl-6-methylphosphanylaniline
SMILESCPc1cc(C)cc(I)c1N
InChIInChI=1S/C8H11INP/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4,11H,10H2,1-2H3
InChIKeyBDNONIFRVUSOLN-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-6-methylphosphanylaniline?
The IUPAC name of 2-iodo-4-methyl-6-methylphosphanylaniline (CID 155131502) is 2-iodo-4-methyl-6-methylphosphanylaniline.
What is the SMILES notation for 2-iodo-4-methyl-6-methylphosphanylaniline?
The canonical SMILES for 2-iodo-4-methyl-6-methylphosphanylaniline is CPc1cc(C)cc(I)c1N.
What is the InChIKey of 2-iodo-4-methyl-6-methylphosphanylaniline?
The InChIKey is BDNONIFRVUSOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11INP/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4,11H,10H2,1-2H3.
What are the key properties of 2-iodo-4-methyl-6-methylphosphanylaniline?
2-iodo-4-methyl-6-methylphosphanylaniline has a molecular weight of 279.06 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-6-methylphosphanylaniline is sourced from PubChem (CID 155131502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).