4-dimethylphosphorylbenzene-1,3-diamine

C8H13N2OP — CID 139449916

IUPAC4-dimethylphosphorylbenzene-1,3-diamine
SMILESCP(C)(=O)c1ccc(N)cc1N
InChIInChI=1S/C8H13N2OP/c1-12(2,11)8-4-3-6(9)5-7(8)10/h3-5H,9-10H2,1-2H3
InChIKeyKGFYUCRZIWLOIF-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.10
Rot. Bonds1

About 4-dimethylphosphorylbenzene-1,3-diamine

4-dimethylphosphorylbenzene-1,3-diamine (PubChem CID 139449916) has the molecular formula C8H13N2OP and a molecular weight of 184.18 g/mol. Its IUPAC name is 4-dimethylphosphorylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-dimethylphosphorylbenzene-1,3-diamine
PubChem CID139449916
Molecular FormulaC8H13N2OP
Molecular Weight184.18 g/mol
Exact Mass184.08
IUPAC Name4-dimethylphosphorylbenzene-1,3-diamine
SMILESCP(C)(=O)c1ccc(N)cc1N
InChIInChI=1S/C8H13N2OP/c1-12(2,11)8-4-3-6(9)5-7(8)10/h3-5H,9-10H2,1-2H3
InChIKeyKGFYUCRZIWLOIF-UHFFFAOYSA-N
XLogP1.10
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphorylbenzene-1,3-diamine?
The IUPAC name of 4-dimethylphosphorylbenzene-1,3-diamine (CID 139449916) is 4-dimethylphosphorylbenzene-1,3-diamine.
What is the SMILES notation for 4-dimethylphosphorylbenzene-1,3-diamine?
The canonical SMILES for 4-dimethylphosphorylbenzene-1,3-diamine is CP(C)(=O)c1ccc(N)cc1N.
What is the InChIKey of 4-dimethylphosphorylbenzene-1,3-diamine?
The InChIKey is KGFYUCRZIWLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2OP/c1-12(2,11)8-4-3-6(9)5-7(8)10/h3-5H,9-10H2,1-2H3.
What are the key properties of 4-dimethylphosphorylbenzene-1,3-diamine?
4-dimethylphosphorylbenzene-1,3-diamine has a molecular weight of 184.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphorylbenzene-1,3-diamine is sourced from PubChem (CID 139449916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).