4-dicyclohexylphosphanylaniline

C18H28NP — CID 101195784

IUPAC4-dicyclohexylphosphanylaniline
SMILESNc1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H28NP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10,19H2
InChIKeyNGASYUZSGLUICO-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.04
Rot. Bonds3

About 4-dicyclohexylphosphanylaniline

4-dicyclohexylphosphanylaniline (PubChem CID 101195784) has the molecular formula C18H28NP and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-dicyclohexylphosphanylaniline.

Molecular Properties

Compound Name4-dicyclohexylphosphanylaniline
PubChem CID101195784
Molecular FormulaC18H28NP
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name4-dicyclohexylphosphanylaniline
SMILESNc1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H28NP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10,19H2
InChIKeyNGASYUZSGLUICO-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.04
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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Frequently Asked Questions

What is the IUPAC name of 4-dicyclohexylphosphanylaniline?
The IUPAC name of 4-dicyclohexylphosphanylaniline (CID 101195784) is 4-dicyclohexylphosphanylaniline.
What is the SMILES notation for 4-dicyclohexylphosphanylaniline?
The canonical SMILES for 4-dicyclohexylphosphanylaniline is Nc1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 4-dicyclohexylphosphanylaniline?
The InChIKey is NGASYUZSGLUICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28NP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10,19H2.
What are the key properties of 4-dicyclohexylphosphanylaniline?
4-dicyclohexylphosphanylaniline has a molecular weight of 289.40 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dicyclohexylphosphanylaniline is sourced from PubChem (CID 101195784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).