3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine

C12H21N2P — CID 90329258

IUPAC3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine
SMILESCC(C)Nc1cccc(P)c1NC(C)C
InChIInChI=1S/C12H21N2P/c1-8(2)13-10-6-5-7-11(15)12(10)14-9(3)4/h5-9,13-14H,15H2,1-4H3
InChIKeyOTQOYICOVYXIAE-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.83
Rot. Bonds4

About 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine

3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine (PubChem CID 90329258) has the molecular formula C12H21N2P and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine
PubChem CID90329258
Molecular FormulaC12H21N2P
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine
SMILESCC(C)Nc1cccc(P)c1NC(C)C
InChIInChI=1S/C12H21N2P/c1-8(2)13-10-6-5-7-11(15)12(10)14-9(3)4/h5-9,13-14H,15H2,1-4H3
InChIKeyOTQOYICOVYXIAE-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine?
The IUPAC name of 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine (CID 90329258) is 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine is CC(C)Nc1cccc(P)c1NC(C)C.
What is the InChIKey of 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine?
The InChIKey is OTQOYICOVYXIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2P/c1-8(2)13-10-6-5-7-11(15)12(10)14-9(3)4/h5-9,13-14H,15H2,1-4H3.
What are the key properties of 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine?
3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine has a molecular weight of 224.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 90329258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).