3-diethylphosphorylaniline

C10H16NOP — CID 665247

IUPAC3-diethylphosphorylaniline
SMILESCCP(=O)(CC)c1cccc(N)c1
InChIInChI=1S/C10H16NOP/c1-3-13(12,4-2)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyCTRVJASKVTVHKB-UHFFFAOYSA-N
MW197.22 g/mol
LogP2.30
Rot. Bonds3

About 3-diethylphosphorylaniline

3-diethylphosphorylaniline (PubChem CID 665247) has the molecular formula C10H16NOP and a molecular weight of 197.22 g/mol. Its IUPAC name is 3-diethylphosphorylaniline.

Molecular Properties

Compound Name3-diethylphosphorylaniline
PubChem CID665247
Molecular FormulaC10H16NOP
Molecular Weight197.22 g/mol
Exact Mass197.10
IUPAC Name3-diethylphosphorylaniline
SMILESCCP(=O)(CC)c1cccc(N)c1
InChIInChI=1S/C10H16NOP/c1-3-13(12,4-2)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyCTRVJASKVTVHKB-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 52.30
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

Aniline
CID 6115
Benzenamine hydrochloride (1:1)
CID 8870
Benzenamine, hydrobromide (1:1)
CID 68330
Phosphoramidic acid, phenyl-, diethyl ester
CID 15049
P-(4-Aminophenyl)phosphonic acid
CID 53590
Phosphonic acid, P-(3-aminophenyl)-
CID 79477
Aniline-d5
CID 123211
(2-Aminophenyl)phosphonic acid
CID 101237
N,N',P-Triphenylphosphonic diamide
CID 78438
Phosphorodiamidic chloride, N,N'-diphenyl-
CID 79727
P,P-Bis(4-aminophenyl)phosphinic acid
CID 97330
3-Diphenylphosphorylaniline
CID 4648453

Frequently Asked Questions

What is the IUPAC name of 3-diethylphosphorylaniline?
The IUPAC name of 3-diethylphosphorylaniline (CID 665247) is 3-diethylphosphorylaniline.
What is the SMILES notation for 3-diethylphosphorylaniline?
The canonical SMILES for 3-diethylphosphorylaniline is CCP(=O)(CC)c1cccc(N)c1.
What is the InChIKey of 3-diethylphosphorylaniline?
The InChIKey is CTRVJASKVTVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NOP/c1-3-13(12,4-2)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3.
What are the key properties of 3-diethylphosphorylaniline?
3-diethylphosphorylaniline has a molecular weight of 197.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethylphosphorylaniline is sourced from PubChem (CID 665247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).