1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

C21H22NP — CID 134068234

IUPAC1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NP/c1-22(2)17-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3
InChIKeyPGKQDQANXIHUSZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (PubChem CID 134068234) has the molecular formula C21H22NP and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
PubChem CID134068234
Molecular FormulaC21H22NP
Molecular Weight319.39 g/mol
Exact Mass319.15
IUPAC Name1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NP/c1-22(2)17-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3
InChIKeyPGKQDQANXIHUSZ-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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Related Compounds

N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane
CID 15975189
1-[2-[[2-[(dimethylamino)methyl]phenyl]-phenylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 15039376
[4-(iodomethyl)phenyl]-diphenylphosphane
CID 142704427
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
ethane;triphenylphosphane
CID 90942156
2-bromo-N,N-dimethylethanamine;triphenylphosphane
CID 87108889

Frequently Asked Questions

What is the IUPAC name of 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (CID 134068234) is 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is CN(C)Cc1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The InChIKey is PGKQDQANXIHUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NP/c1-22(2)17-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3.
What are the key properties of 1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
1-(4-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-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 134068234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).