2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline

C21H23N2O2P — CID 139079164

IUPAC2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline
SMILESCc1ccc(OP(=O)(Nc2ccccc2C)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N2O2P/c1-16-12-14-19(15-13-16)25-26(24,22-20-10-6-4-8-17(20)2)23-21-11-7-5-9-18(21)3/h4-15H,1-3H3,(H2,22,23,24)
InChIKeyKGUNSJPOJYKXJK-UHFFFAOYSA-N
MW366.40 g/mol
LogP6.32
Rot. Bonds6

About 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline

2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline (PubChem CID 139079164) has the molecular formula C21H23N2O2P and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline
PubChem CID139079164
Molecular FormulaC21H23N2O2P
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline
SMILESCc1ccc(OP(=O)(Nc2ccccc2C)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N2O2P/c1-16-12-14-19(15-13-16)25-26(24,22-20-10-6-4-8-17(20)2)23-21-11-7-5-9-18(21)3/h4-15H,1-3H3,(H2,22,23,24)
InChIKeyKGUNSJPOJYKXJK-UHFFFAOYSA-N
XLogP6.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145
N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline
CID 19630519
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
CID 66990758
anthracene-9,10-dione;tris(4-methylphenyl) phosphate
CID 175314566
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline?
The IUPAC name of 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline (CID 139079164) is 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline.
What is the SMILES notation for 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline?
The canonical SMILES for 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline is Cc1ccc(OP(=O)(Nc2ccccc2C)Nc2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline?
The InChIKey is KGUNSJPOJYKXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N2O2P/c1-16-12-14-19(15-13-16)25-26(24,22-20-10-6-4-8-17(20)2)23-21-11-7-5-9-18(21)3/h4-15H,1-3H3,(H2,22,23,24).
What are the key properties of 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline?
2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline has a molecular weight of 366.40 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline is sourced from PubChem (CID 139079164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).