tris(4-methylphenyl)methanamine

C22H23N — CID 4166619

IUPACtris(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23N/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,23H2,1-3H3
InChIKeyXWCAKECWGZSJKC-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.86
Rot. Bonds3

About tris(4-methylphenyl)methanamine

tris(4-methylphenyl)methanamine (PubChem CID 4166619) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is tris(4-methylphenyl)methanamine.

Molecular Properties

Compound Nametris(4-methylphenyl)methanamine
PubChem CID4166619
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Nametris(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23N/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,23H2,1-3H3
InChIKeyXWCAKECWGZSJKC-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)methanamine?
The IUPAC name of tris(4-methylphenyl)methanamine (CID 4166619) is tris(4-methylphenyl)methanamine.
What is the SMILES notation for tris(4-methylphenyl)methanamine?
The canonical SMILES for tris(4-methylphenyl)methanamine is Cc1ccc(C(N)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)methanamine?
The InChIKey is XWCAKECWGZSJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,23H2,1-3H3.
What are the key properties of tris(4-methylphenyl)methanamine?
tris(4-methylphenyl)methanamine has a molecular weight of 301.43 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)methanamine is sourced from PubChem (CID 4166619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).