3-(diphenylphosphorylmethyl)aniline

C19H18NOP — CID 19578010

IUPAC3-(diphenylphosphorylmethyl)aniline
SMILESNc1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H18NOP/c20-17-9-7-8-16(14-17)15-22(21,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15,20H2
InChIKeyOSZSZGXKZQXUHB-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.78
Rot. Bonds4

About 3-(diphenylphosphorylmethyl)aniline

3-(diphenylphosphorylmethyl)aniline (PubChem CID 19578010) has the molecular formula C19H18NOP and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-(diphenylphosphorylmethyl)aniline.

Molecular Properties

Compound Name3-(diphenylphosphorylmethyl)aniline
PubChem CID19578010
Molecular FormulaC19H18NOP
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name3-(diphenylphosphorylmethyl)aniline
SMILESNc1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H18NOP/c20-17-9-7-8-16(14-17)15-22(21,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15,20H2
InChIKeyOSZSZGXKZQXUHB-UHFFFAOYSA-N
XLogP3.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 3-(diphenylphosphorylmethyl)aniline?
The IUPAC name of 3-(diphenylphosphorylmethyl)aniline (CID 19578010) is 3-(diphenylphosphorylmethyl)aniline.
What is the SMILES notation for 3-(diphenylphosphorylmethyl)aniline?
The canonical SMILES for 3-(diphenylphosphorylmethyl)aniline is Nc1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-(diphenylphosphorylmethyl)aniline?
The InChIKey is OSZSZGXKZQXUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NOP/c20-17-9-7-8-16(14-17)15-22(21,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15,20H2.
What are the key properties of 3-(diphenylphosphorylmethyl)aniline?
3-(diphenylphosphorylmethyl)aniline has a molecular weight of 307.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diphenylphosphorylmethyl)aniline is sourced from PubChem (CID 19578010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).