3-(1-diphenylphosphanylethyl)aniline

C20H20NP — CID 151885183

IUPAC3-(1-diphenylphosphanylethyl)aniline
SMILESCC(c1cccc(N)c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NP/c1-16(17-9-8-10-18(21)15-17)22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,21H2,1H3
InChIKeySPNZVOPFDOKCSU-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.46
Rot. Bonds4

About 3-(1-diphenylphosphanylethyl)aniline

3-(1-diphenylphosphanylethyl)aniline (PubChem CID 151885183) has the molecular formula C20H20NP and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(1-diphenylphosphanylethyl)aniline.

Molecular Properties

Compound Name3-(1-diphenylphosphanylethyl)aniline
PubChem CID151885183
Molecular FormulaC20H20NP
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name3-(1-diphenylphosphanylethyl)aniline
SMILESCC(c1cccc(N)c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NP/c1-16(17-9-8-10-18(21)15-17)22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,21H2,1H3
InChIKeySPNZVOPFDOKCSU-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.46
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 3-(1-diphenylphosphanylethyl)aniline?
The IUPAC name of 3-(1-diphenylphosphanylethyl)aniline (CID 151885183) is 3-(1-diphenylphosphanylethyl)aniline.
What is the SMILES notation for 3-(1-diphenylphosphanylethyl)aniline?
The canonical SMILES for 3-(1-diphenylphosphanylethyl)aniline is CC(c1cccc(N)c1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1-diphenylphosphanylethyl)aniline?
The InChIKey is SPNZVOPFDOKCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NP/c1-16(17-9-8-10-18(21)15-17)22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,21H2,1H3.
What are the key properties of 3-(1-diphenylphosphanylethyl)aniline?
3-(1-diphenylphosphanylethyl)aniline has a molecular weight of 305.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-diphenylphosphanylethyl)aniline is sourced from PubChem (CID 151885183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).