N-bis(4-methylanilino)phosphoryl-4-methylaniline

C21H24N3OP — CID 520512

IUPACN-bis(4-methylanilino)phosphoryl-4-methylaniline
SMILESCc1ccc(NP(=O)(Nc2ccc(C)cc2)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N3OP/c1-16-4-10-19(11-5-16)22-26(25,23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H3,22,23,24,25)
InChIKeyNUIMACVJPXHSLA-UHFFFAOYSA-N
MW365.42 g/mol
LogP6.36
Rot. Bonds6

About N-bis(4-methylanilino)phosphoryl-4-methylaniline

N-bis(4-methylanilino)phosphoryl-4-methylaniline (PubChem CID 520512) has the molecular formula C21H24N3OP and a molecular weight of 365.42 g/mol. Its IUPAC name is N-bis(4-methylanilino)phosphoryl-4-methylaniline.

Molecular Properties

Compound NameN-bis(4-methylanilino)phosphoryl-4-methylaniline
PubChem CID520512
Molecular FormulaC21H24N3OP
Molecular Weight365.42 g/mol
Exact Mass365.17
IUPAC NameN-bis(4-methylanilino)phosphoryl-4-methylaniline
SMILESCc1ccc(NP(=O)(Nc2ccc(C)cc2)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N3OP/c1-16-4-10-19(11-5-16)22-26(25,23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H3,22,23,24,25)
InChIKeyNUIMACVJPXHSLA-UHFFFAOYSA-N
XLogP6.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.42
LogP ≤ 56.36
H-Bond Donors ≤ 53
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 N-bis(4-methylanilino)phosphoryl-4-methylaniline?
The IUPAC name of N-bis(4-methylanilino)phosphoryl-4-methylaniline (CID 520512) is N-bis(4-methylanilino)phosphoryl-4-methylaniline.
What is the SMILES notation for N-bis(4-methylanilino)phosphoryl-4-methylaniline?
The canonical SMILES for N-bis(4-methylanilino)phosphoryl-4-methylaniline is Cc1ccc(NP(=O)(Nc2ccc(C)cc2)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-bis(4-methylanilino)phosphoryl-4-methylaniline?
The InChIKey is NUIMACVJPXHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N3OP/c1-16-4-10-19(11-5-16)22-26(25,23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H3,22,23,24,25).
What are the key properties of N-bis(4-methylanilino)phosphoryl-4-methylaniline?
N-bis(4-methylanilino)phosphoryl-4-methylaniline has a molecular weight of 365.42 g/mol, XLogP of 6.36, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-methylanilino)phosphoryl-4-methylaniline is sourced from PubChem (CID 520512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).