aniline;ethane;methoxyphosphane

C9H18NOP — CID 90767578

IUPACaniline;ethane;methoxyphosphane
SMILESCC.COP.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H6.CH5OP/c7-6-4-2-1-3-5-6;1-2;1-2-3/h1-5H,7H2;1-2H3;3H2,1H3
InChIKeyKAWBGXUFDICCRA-UHFFFAOYSA-N
MW187.22 g/mol
LogP2.72
Rot. Bonds

About aniline;ethane;methoxyphosphane

aniline;ethane;methoxyphosphane (PubChem CID 90767578) has the molecular formula C9H18NOP and a molecular weight of 187.22 g/mol. Its IUPAC name is aniline;ethane;methoxyphosphane.

Molecular Properties

Compound Nameaniline;ethane;methoxyphosphane
PubChem CID90767578
Molecular FormulaC9H18NOP
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Nameaniline;ethane;methoxyphosphane
SMILESCC.COP.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H6.CH5OP/c7-6-4-2-1-3-5-6;1-2;1-2-3/h1-5H,7H2;1-2H3;3H2,1H3
InChIKeyKAWBGXUFDICCRA-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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aniline;mercury
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Frequently Asked Questions

What is the IUPAC name of aniline;ethane;methoxyphosphane?
The IUPAC name of aniline;ethane;methoxyphosphane (CID 90767578) is aniline;ethane;methoxyphosphane.
What is the SMILES notation for aniline;ethane;methoxyphosphane?
The canonical SMILES for aniline;ethane;methoxyphosphane is CC.COP.Nc1ccccc1.
What is the InChIKey of aniline;ethane;methoxyphosphane?
The InChIKey is KAWBGXUFDICCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H6.CH5OP/c7-6-4-2-1-3-5-6;1-2;1-2-3/h1-5H,7H2;1-2H3;3H2,1H3.
What are the key properties of aniline;ethane;methoxyphosphane?
aniline;ethane;methoxyphosphane has a molecular weight of 187.22 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;ethane;methoxyphosphane is sourced from PubChem (CID 90767578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).