tris(4-aminophenyl)methanol

C19H19N3O — CID 10084

IUPACtris(4-aminophenyl)methanol
SMILESNc1ccc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
InChIKeyKRVRUAYUNOQMOV-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.72
Rot. Bonds3

About tris(4-aminophenyl)methanol

tris(4-aminophenyl)methanol (PubChem CID 10084) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is tris(4-aminophenyl)methanol.

Molecular Properties

Compound Nametris(4-aminophenyl)methanol
PubChem CID10084
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Nametris(4-aminophenyl)methanol
SMILESNc1ccc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
InChIKeyKRVRUAYUNOQMOV-UHFFFAOYSA-N
XLogP2.72
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(4-aminophenyl)methanol?
The IUPAC name of tris(4-aminophenyl)methanol (CID 10084) is tris(4-aminophenyl)methanol.
What is the SMILES notation for tris(4-aminophenyl)methanol?
The canonical SMILES for tris(4-aminophenyl)methanol is Nc1ccc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1.
What is the InChIKey of tris(4-aminophenyl)methanol?
The InChIKey is KRVRUAYUNOQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2.
What are the key properties of tris(4-aminophenyl)methanol?
tris(4-aminophenyl)methanol has a molecular weight of 305.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-aminophenyl)methanol is sourced from PubChem (CID 10084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).