ethane;N-methyl-2-(2-phosphanylphenyl)aniline

C15H20NP — CID 142319745

IUPACethane;N-methyl-2-(2-phosphanylphenyl)aniline
SMILESCC.CNc1ccccc1-c1ccccc1P
InChIInChI=1S/C13H14NP.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15;1-2/h2-9,14H,15H2,1H3;1-2H3
InChIKeySYGMDOPJPPNIEZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.92
Rot. Bonds2

About ethane;N-methyl-2-(2-phosphanylphenyl)aniline

ethane;N-methyl-2-(2-phosphanylphenyl)aniline (PubChem CID 142319745) has the molecular formula C15H20NP and a molecular weight of 245.31 g/mol. Its IUPAC name is ethane;N-methyl-2-(2-phosphanylphenyl)aniline.

Molecular Properties

Compound Nameethane;N-methyl-2-(2-phosphanylphenyl)aniline
PubChem CID142319745
Molecular FormulaC15H20NP
Molecular Weight245.31 g/mol
Exact Mass245.13
IUPAC Nameethane;N-methyl-2-(2-phosphanylphenyl)aniline
SMILESCC.CNc1ccccc1-c1ccccc1P
InChIInChI=1S/C13H14NP.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15;1-2/h2-9,14H,15H2,1H3;1-2H3
InChIKeySYGMDOPJPPNIEZ-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-2-(2-phosphanylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(2-phosphanylphenyl)aniline?
The IUPAC name of ethane;N-methyl-2-(2-phosphanylphenyl)aniline (CID 142319745) is ethane;N-methyl-2-(2-phosphanylphenyl)aniline.
What is the SMILES notation for ethane;N-methyl-2-(2-phosphanylphenyl)aniline?
The canonical SMILES for ethane;N-methyl-2-(2-phosphanylphenyl)aniline is CC.CNc1ccccc1-c1ccccc1P.
What is the InChIKey of ethane;N-methyl-2-(2-phosphanylphenyl)aniline?
The InChIKey is SYGMDOPJPPNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NP.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15;1-2/h2-9,14H,15H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-2-(2-phosphanylphenyl)aniline?
ethane;N-methyl-2-(2-phosphanylphenyl)aniline has a molecular weight of 245.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(2-phosphanylphenyl)aniline is sourced from PubChem (CID 142319745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).