N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine

C27H27N2P — CID 129290835

IUPACN-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine
SMILESCc1cccc(C)c1NC(NP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N2P/c1-21-13-12-14-22(2)26(21)28-27(23-15-6-3-7-16-23)29-30(24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-20,27-29H,1-2H3
InChIKeySFRVSMOPCYLWTK-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.05
Rot. Bonds7

About N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine

N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine (PubChem CID 129290835) has the molecular formula C27H27N2P and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine
PubChem CID129290835
Molecular FormulaC27H27N2P
Molecular Weight410.50 g/mol
Exact Mass410.19
IUPAC NameN-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine
SMILESCc1cccc(C)c1NC(NP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N2P/c1-21-13-12-14-22(2)26(21)28-27(23-15-6-3-7-16-23)29-30(24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-20,27-29H,1-2H3
InChIKeySFRVSMOPCYLWTK-UHFFFAOYSA-N
XLogP6.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)methanediamine
CID 129291277
N-(1,2-diphenylethyl)-2,6-dimethylaniline
CID 15529270
chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
CID 175534500
N-[bis(diphenylphosphoryl)methyl]-2,6-dimethylaniline
CID 11627991
1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline
CID 59080054
N-diphenylphosphanylmethanamine
CID 11365917
(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine
CID 134874635
(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine
CID 102382785
N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807002
N-but-3-yn-2-yl-2,6-dimethylaniline
CID 13071317
benzene;1,2,3-trimethylbenzene
CID 159605245

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine (CID 129290835) is N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine is Cc1cccc(C)c1NC(NP(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine?
The InChIKey is SFRVSMOPCYLWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N2P/c1-21-13-12-14-22(2)26(21)28-27(23-15-6-3-7-16-23)29-30(24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-20,27-29H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine?
N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine has a molecular weight of 410.50 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine is sourced from PubChem (CID 129290835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).