tris(2-methylaniline);phosphane

C21H30N3P — CID 158408493

IUPACtris(2-methylaniline);phosphane
SMILESCc1ccccc1N.Cc1ccccc1N.Cc1ccccc1N.P
InChIInChI=1S/3C7H9N.H3P/c3*1-6-4-2-3-5-7(6)8;/h3*2-5H,8H2,1H3;1H3
InChIKeyGYZQAHCBPKKWNM-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.79
Rot. Bonds

About tris(2-methylaniline);phosphane

tris(2-methylaniline);phosphane (PubChem CID 158408493) has the molecular formula C21H30N3P and a molecular weight of 355.47 g/mol. Its IUPAC name is tris(2-methylaniline);phosphane.

Molecular Properties

Compound Nametris(2-methylaniline);phosphane
PubChem CID158408493
Molecular FormulaC21H30N3P
Molecular Weight355.47 g/mol
Exact Mass355.22
IUPAC Nametris(2-methylaniline);phosphane
SMILESCc1ccccc1N.Cc1ccccc1N.Cc1ccccc1N.P
InChIInChI=1S/3C7H9N.H3P/c3*1-6-4-2-3-5-7(6)8;/h3*2-5H,8H2,1H3;1H3
InChIKeyGYZQAHCBPKKWNM-UHFFFAOYSA-N
XLogP4.79
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-Toluidine
CID 7242
o-Tolidine
CID 8413
2-Aminobiphenyl
CID 7015
2-Toluidine hydrochloride
CID 12484
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
o-Aminoazotoluene
CID 7340
2-Ethylaniline
CID 11357
2,4'-Biphenyldiamine
CID 10292
(R)-6,6'-Dimethyl-1,1'-biphenyl-2,2'-diyldiamine
CID 882241
2-(2-Phenylethynyl)aniline
CID 1211370
4,4'-Diaminostilbene
CID 5284646
4,4'-Ethylenedianiline
CID 12138

Frequently Asked Questions

What is the IUPAC name of tris(2-methylaniline);phosphane?
The IUPAC name of tris(2-methylaniline);phosphane (CID 158408493) is tris(2-methylaniline);phosphane.
What is the SMILES notation for tris(2-methylaniline);phosphane?
The canonical SMILES for tris(2-methylaniline);phosphane is Cc1ccccc1N.Cc1ccccc1N.Cc1ccccc1N.P.
What is the InChIKey of tris(2-methylaniline);phosphane?
The InChIKey is GYZQAHCBPKKWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9N.H3P/c3*1-6-4-2-3-5-7(6)8;/h3*2-5H,8H2,1H3;1H3.
What are the key properties of tris(2-methylaniline);phosphane?
tris(2-methylaniline);phosphane has a molecular weight of 355.47 g/mol, XLogP of 4.79, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylaniline);phosphane is sourced from PubChem (CID 158408493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).