2-dimethylphosphanyloxybenzene-1,4-diamine

C8H13N2OP — CID 167302927

IUPAC2-dimethylphosphanyloxybenzene-1,4-diamine
SMILESCP(C)Oc1cc(N)ccc1N
InChIInChI=1S/C8H13N2OP/c1-12(2)11-8-5-6(9)3-4-7(8)10/h3-5H,9-10H2,1-2H3
InChIKeyZMBRYSBREUERHM-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.89
Rot. Bonds2

About 2-dimethylphosphanyloxybenzene-1,4-diamine

2-dimethylphosphanyloxybenzene-1,4-diamine (PubChem CID 167302927) has the molecular formula C8H13N2OP and a molecular weight of 184.18 g/mol. Its IUPAC name is 2-dimethylphosphanyloxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-dimethylphosphanyloxybenzene-1,4-diamine
PubChem CID167302927
Molecular FormulaC8H13N2OP
Molecular Weight184.18 g/mol
Exact Mass184.08
IUPAC Name2-dimethylphosphanyloxybenzene-1,4-diamine
SMILESCP(C)Oc1cc(N)ccc1N
InChIInChI=1S/C8H13N2OP/c1-12(2)11-8-5-6(9)3-4-7(8)10/h3-5H,9-10H2,1-2H3
InChIKeyZMBRYSBREUERHM-UHFFFAOYSA-N
XLogP1.89
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.89
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'}

Analyze 2-dimethylphosphanyloxybenzene-1,4-diamine 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-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane
CID 170077900
2-(4-methylphenoxy)benzene-1,4-diamine
CID 163806910
2-[3-(2,5-diaminophenoxy)-2-methylpropoxy]benzene-1,4-diamine
CID 70541504
lithium (2,5-diaminophenyl) sulfite
CID 175298069
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
CID 10132592
9-hydroxycarbazole-3,6-diamine
CID 130354547
1-(2,5-diaminophenoxy)ethane-1,2-diol
CID 144827067
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
CID 18371878
2-(2,5-diaminophenoxy)ethyl-diethyl-methylazanium;chloride;hydrate
CID 70009436

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphanyloxybenzene-1,4-diamine?
The IUPAC name of 2-dimethylphosphanyloxybenzene-1,4-diamine (CID 167302927) is 2-dimethylphosphanyloxybenzene-1,4-diamine.
What is the SMILES notation for 2-dimethylphosphanyloxybenzene-1,4-diamine?
The canonical SMILES for 2-dimethylphosphanyloxybenzene-1,4-diamine is CP(C)Oc1cc(N)ccc1N.
What is the InChIKey of 2-dimethylphosphanyloxybenzene-1,4-diamine?
The InChIKey is ZMBRYSBREUERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2OP/c1-12(2)11-8-5-6(9)3-4-7(8)10/h3-5H,9-10H2,1-2H3.
What are the key properties of 2-dimethylphosphanyloxybenzene-1,4-diamine?
2-dimethylphosphanyloxybenzene-1,4-diamine has a molecular weight of 184.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphanyloxybenzene-1,4-diamine is sourced from PubChem (CID 167302927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).