N-diaminophosphoryl-N-phenylaniline;hydrochloride

C12H15ClN3OP — CID 172842022

IUPACN-diaminophosphoryl-N-phenylaniline;hydrochloride
SMILESCl.NP(N)(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H14N3OP.ClH/c13-17(14,16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H4,13,14,16);1H
InChIKeyWXNOFCVIUMBHLR-UHFFFAOYSA-N
MW283.70 g/mol
LogP3.27
Rot. Bonds3

About N-diaminophosphoryl-N-phenylaniline;hydrochloride

N-diaminophosphoryl-N-phenylaniline;hydrochloride (PubChem CID 172842022) has the molecular formula C12H15ClN3OP and a molecular weight of 283.70 g/mol. Its IUPAC name is N-diaminophosphoryl-N-phenylaniline;hydrochloride.

Molecular Properties

Compound NameN-diaminophosphoryl-N-phenylaniline;hydrochloride
PubChem CID172842022
Molecular FormulaC12H15ClN3OP
Molecular Weight283.70 g/mol
Exact Mass283.06
IUPAC NameN-diaminophosphoryl-N-phenylaniline;hydrochloride
SMILESCl.NP(N)(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H14N3OP.ClH/c13-17(14,16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H4,13,14,16);1H
InChIKeyWXNOFCVIUMBHLR-UHFFFAOYSA-N
XLogP3.27
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88738061
CID 88738061
(N-(2,3-dimethyl-6-phenylphenyl)anilino)phosphonic acid
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CID 174849888

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-N-phenylaniline;hydrochloride?
The IUPAC name of N-diaminophosphoryl-N-phenylaniline;hydrochloride (CID 172842022) is N-diaminophosphoryl-N-phenylaniline;hydrochloride.
What is the SMILES notation for N-diaminophosphoryl-N-phenylaniline;hydrochloride?
The canonical SMILES for N-diaminophosphoryl-N-phenylaniline;hydrochloride is Cl.NP(N)(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diaminophosphoryl-N-phenylaniline;hydrochloride?
The InChIKey is WXNOFCVIUMBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3OP.ClH/c13-17(14,16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H4,13,14,16);1H.
What are the key properties of N-diaminophosphoryl-N-phenylaniline;hydrochloride?
N-diaminophosphoryl-N-phenylaniline;hydrochloride has a molecular weight of 283.70 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-N-phenylaniline;hydrochloride is sourced from PubChem (CID 172842022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).