phenyl-(2,3,4,5-tetraethylphenyl)methanediamine

C21H30N2 — CID 54569560

IUPACphenyl-(2,3,4,5-tetraethylphenyl)methanediamine
SMILESCCc1cc(C(N)(N)c2ccccc2)c(CC)c(CC)c1CC
InChIInChI=1S/C21H30N2/c1-5-15-14-20(19(8-4)18(7-3)17(15)6-2)21(22,23)16-12-10-9-11-13-16/h9-14H,5-8,22-23H2,1-4H3
InChIKeyZWGWPHTUOWMLHG-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.05
Rot. Bonds6

About phenyl-(2,3,4,5-tetraethylphenyl)methanediamine

phenyl-(2,3,4,5-tetraethylphenyl)methanediamine (PubChem CID 54569560) has the molecular formula C21H30N2 and a molecular weight of 310.48 g/mol. Its IUPAC name is phenyl-(2,3,4,5-tetraethylphenyl)methanediamine.

Molecular Properties

Compound Namephenyl-(2,3,4,5-tetraethylphenyl)methanediamine
PubChem CID54569560
Molecular FormulaC21H30N2
Molecular Weight310.48 g/mol
Exact Mass310.24
IUPAC Namephenyl-(2,3,4,5-tetraethylphenyl)methanediamine
SMILESCCc1cc(C(N)(N)c2ccccc2)c(CC)c(CC)c1CC
InChIInChI=1S/C21H30N2/c1-5-15-14-20(19(8-4)18(7-3)17(15)6-2)21(22,23)16-12-10-9-11-13-16/h9-14H,5-8,22-23H2,1-4H3
InChIKeyZWGWPHTUOWMLHG-UHFFFAOYSA-N
XLogP4.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl-(2,3,4,5-tetraethylphenyl)methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,4,5-tetraethylphenyl)methanediamine?
The IUPAC name of phenyl-(2,3,4,5-tetraethylphenyl)methanediamine (CID 54569560) is phenyl-(2,3,4,5-tetraethylphenyl)methanediamine.
What is the SMILES notation for phenyl-(2,3,4,5-tetraethylphenyl)methanediamine?
The canonical SMILES for phenyl-(2,3,4,5-tetraethylphenyl)methanediamine is CCc1cc(C(N)(N)c2ccccc2)c(CC)c(CC)c1CC.
What is the InChIKey of phenyl-(2,3,4,5-tetraethylphenyl)methanediamine?
The InChIKey is ZWGWPHTUOWMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-5-15-14-20(19(8-4)18(7-3)17(15)6-2)21(22,23)16-12-10-9-11-13-16/h9-14H,5-8,22-23H2,1-4H3.
What are the key properties of phenyl-(2,3,4,5-tetraethylphenyl)methanediamine?
phenyl-(2,3,4,5-tetraethylphenyl)methanediamine has a molecular weight of 310.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,4,5-tetraethylphenyl)methanediamine is sourced from PubChem (CID 54569560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).