4-ethylphosphanylaniline

C8H12NP — CID 174797902

IUPAC4-ethylphosphanylaniline
SMILESCCPc1ccc(N)cc1
InChIInChI=1S/C8H12NP/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3
InChIKeyNMOHNCFDSFYFHI-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.59
Rot. Bonds2

About 4-ethylphosphanylaniline

4-ethylphosphanylaniline (PubChem CID 174797902) has the molecular formula C8H12NP and a molecular weight of 153.16 g/mol. Its IUPAC name is 4-ethylphosphanylaniline.

Molecular Properties

Compound Name4-ethylphosphanylaniline
PubChem CID174797902
Molecular FormulaC8H12NP
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name4-ethylphosphanylaniline
SMILESCCPc1ccc(N)cc1
InChIInChI=1S/C8H12NP/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3
InChIKeyNMOHNCFDSFYFHI-UHFFFAOYSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.59
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

4-ethylphosphanylbenzamide
CID 174787018
benzene-1,4-diamine;butane
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4-aminophenol;butane;methanamine
CID 145479199
benzene-1,4-diamine;ethane;methane
CID 159498580
aniline;ethanol
CID 22137766
4-ethylaniline;hydrobromide
CID 86059477
benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
4-triethylsilylaniline
CID 19811066
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
CID 140848317
CID 140848317

Frequently Asked Questions

What is the IUPAC name of 4-ethylphosphanylaniline?
The IUPAC name of 4-ethylphosphanylaniline (CID 174797902) is 4-ethylphosphanylaniline.
What is the SMILES notation for 4-ethylphosphanylaniline?
The canonical SMILES for 4-ethylphosphanylaniline is CCPc1ccc(N)cc1.
What is the InChIKey of 4-ethylphosphanylaniline?
The InChIKey is NMOHNCFDSFYFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NP/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3.
What are the key properties of 4-ethylphosphanylaniline?
4-ethylphosphanylaniline has a molecular weight of 153.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylphosphanylaniline is sourced from PubChem (CID 174797902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).