3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline

C20H20NP — CID 142355856

IUPAC3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline
SMILESCc1ccccc1-c1c(C)ccc(P)c1Nc1ccccc1
InChIInChI=1S/C20H20NP/c1-14-8-6-7-11-17(14)19-15(2)12-13-18(22)20(19)21-16-9-4-3-5-10-16/h3-13,21H,22H2,1-2H3
InChIKeyVYEQCZKSGYQAEW-UHFFFAOYSA-N
MW305.36 g/mol
LogP5.21
Rot. Bonds3

About 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline

3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline (PubChem CID 142355856) has the molecular formula C20H20NP and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline.

Molecular Properties

Compound Name3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline
PubChem CID142355856
Molecular FormulaC20H20NP
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline
SMILESCc1ccccc1-c1c(C)ccc(P)c1Nc1ccccc1
InChIInChI=1S/C20H20NP/c1-14-8-6-7-11-17(14)19-15(2)12-13-18(22)20(19)21-16-9-4-3-5-10-16/h3-13,21H,22H2,1-2H3
InChIKeyVYEQCZKSGYQAEW-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
2-methyl-3-(2-methylphenyl)-N-phenylaniline
CID 145291180
[2-(2-methylphenyl)phenyl]phosphane
CID 58067260
4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
CID 118429250
4-methyl-2-(2-methylphenyl)-N-phenylaniline
CID 70565029
2-(2-methylphenyl)-N-phenyl-9H-carbazol-1-amine
CID 146574333
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
hydrazine;N-phenylaniline
CID 159755629
3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline?
The IUPAC name of 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline (CID 142355856) is 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline.
What is the SMILES notation for 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline?
The canonical SMILES for 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline is Cc1ccccc1-c1c(C)ccc(P)c1Nc1ccccc1.
What is the InChIKey of 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline?
The InChIKey is VYEQCZKSGYQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NP/c1-14-8-6-7-11-17(14)19-15(2)12-13-18(22)20(19)21-16-9-4-3-5-10-16/h3-13,21H,22H2,1-2H3.
What are the key properties of 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline?
3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline has a molecular weight of 305.36 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline is sourced from PubChem (CID 142355856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).