2-amino-6-[bis(2-aminophenyl)methyl]phenol

C19H19N3O — CID 18365826

IUPAC2-amino-6-[bis(2-aminophenyl)methyl]phenol
SMILESNc1ccccc1C(c1ccccc1N)c1cccc(N)c1O
InChIInChI=1S/C19H19N3O/c20-15-9-3-1-6-12(15)18(13-7-2-4-10-16(13)21)14-8-5-11-17(22)19(14)23/h1-11,18,23H,20-22H2
InChIKeyLWLGFEZDQLPRHK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-6-[bis(2-aminophenyl)methyl]phenol

2-amino-6-[bis(2-aminophenyl)methyl]phenol (PubChem CID 18365826) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-amino-6-[bis(2-aminophenyl)methyl]phenol.

Molecular Properties

Compound Name2-amino-6-[bis(2-aminophenyl)methyl]phenol
PubChem CID18365826
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-amino-6-[bis(2-aminophenyl)methyl]phenol
SMILESNc1ccccc1C(c1ccccc1N)c1cccc(N)c1O
InChIInChI=1S/C19H19N3O/c20-15-9-3-1-6-12(15)18(13-7-2-4-10-16(13)21)14-8-5-11-17(22)19(14)23/h1-11,18,23H,20-22H2
InChIKeyLWLGFEZDQLPRHK-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[bis(2-aminophenyl)methyl]phenol?
The IUPAC name of 2-amino-6-[bis(2-aminophenyl)methyl]phenol (CID 18365826) is 2-amino-6-[bis(2-aminophenyl)methyl]phenol.
What is the SMILES notation for 2-amino-6-[bis(2-aminophenyl)methyl]phenol?
The canonical SMILES for 2-amino-6-[bis(2-aminophenyl)methyl]phenol is Nc1ccccc1C(c1ccccc1N)c1cccc(N)c1O.
What is the InChIKey of 2-amino-6-[bis(2-aminophenyl)methyl]phenol?
The InChIKey is LWLGFEZDQLPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-15-9-3-1-6-12(15)18(13-7-2-4-10-16(13)21)14-8-5-11-17(22)19(14)23/h1-11,18,23H,20-22H2.
What are the key properties of 2-amino-6-[bis(2-aminophenyl)methyl]phenol?
2-amino-6-[bis(2-aminophenyl)methyl]phenol has a molecular weight of 305.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[bis(2-aminophenyl)methyl]phenol is sourced from PubChem (CID 18365826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).