1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

C21H22NP — CID 11370610

IUPAC1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NP/c1-22(2)17-18-11-9-10-16-21(18)23(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-16H,17H2,1-2H3
InChIKeyPOILNYUNIDNVDD-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.51
Rot. Bonds5

About 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (PubChem CID 11370610) has the molecular formula C21H22NP and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
PubChem CID11370610
Molecular FormulaC21H22NP
Molecular Weight319.39 g/mol
Exact Mass319.15
IUPAC Name1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NP/c1-22(2)17-18-11-9-10-16-21(18)23(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-16H,17H2,1-2H3
InChIKeyPOILNYUNIDNVDD-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (CID 11370610) is 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is CN(C)Cc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The InChIKey is POILNYUNIDNVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NP/c1-22(2)17-18-11-9-10-16-21(18)23(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-16H,17H2,1-2H3.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine has a molecular weight of 319.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 11370610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).