aniline;methylphosphane

C7H12NP — CID 142605603

IUPACaniline;methylphosphane
SMILESCP.Nc1ccccc1
InChIInChI=1S/C6H7N.CH5P/c7-6-4-2-1-3-5-6;1-2/h1-5H,7H2;2H2,1H3
InChIKeyMPUGLEXSTFCSFS-UHFFFAOYSA-N
MW141.15 g/mol
LogP1.76
Rot. Bonds

About aniline;methylphosphane

aniline;methylphosphane (PubChem CID 142605603) has the molecular formula C7H12NP and a molecular weight of 141.15 g/mol. Its IUPAC name is aniline;methylphosphane.

Molecular Properties

Compound Nameaniline;methylphosphane
PubChem CID142605603
Molecular FormulaC7H12NP
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Nameaniline;methylphosphane
SMILESCP.Nc1ccccc1
InChIInChI=1S/C6H7N.CH5P/c7-6-4-2-1-3-5-6;1-2/h1-5H,7H2;2H2,1H3
InChIKeyMPUGLEXSTFCSFS-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of aniline;methylphosphane?
The IUPAC name of aniline;methylphosphane (CID 142605603) is aniline;methylphosphane.
What is the SMILES notation for aniline;methylphosphane?
The canonical SMILES for aniline;methylphosphane is CP.Nc1ccccc1.
What is the InChIKey of aniline;methylphosphane?
The InChIKey is MPUGLEXSTFCSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.CH5P/c7-6-4-2-1-3-5-6;1-2/h1-5H,7H2;2H2,1H3.
What are the key properties of aniline;methylphosphane?
aniline;methylphosphane has a molecular weight of 141.15 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;methylphosphane is sourced from PubChem (CID 142605603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).