[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium

C16H18N3O+ — CID 142975902

IUPAC[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium
SMILESCc1ccc(O)c(C(=[NH2+])/N=C(\N)c2ccccc2C)c1
InChIInChI=1S/C16H17N3O/c1-10-7-8-14(20)13(9-10)16(18)19-15(17)12-6-4-3-5-11(12)2/h3-9,20H,1-2H3,(H3,17,18,19)/p+1
InChIKeyXZRBFRPEBLPQNK-UHFFFAOYSA-O
MW268.34 g/mol
LogP0.92
Rot. Bonds2

About [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium

[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium (PubChem CID 142975902) has the molecular formula C16H18N3O+ and a molecular weight of 268.34 g/mol. Its IUPAC name is [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium.

Molecular Properties

Compound Name[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium
PubChem CID142975902
Molecular FormulaC16H18N3O+
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium
SMILESCc1ccc(O)c(C(=[NH2+])/N=C(\N)c2ccccc2C)c1
InChIInChI=1S/C16H17N3O/c1-10-7-8-14(20)13(9-10)16(18)19-15(17)12-6-4-3-5-11(12)2/h3-9,20H,1-2H3,(H3,17,18,19)/p+1
InChIKeyXZRBFRPEBLPQNK-UHFFFAOYSA-O
XLogP0.92
TPSA84.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium?
The IUPAC name of [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium (CID 142975902) is [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium.
What is the SMILES notation for [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium?
The canonical SMILES for [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium is Cc1ccc(O)c(C(=[NH2+])/N=C(\N)c2ccccc2C)c1.
What is the InChIKey of [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium?
The InChIKey is XZRBFRPEBLPQNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N3O/c1-10-7-8-14(20)13(9-10)16(18)19-15(17)12-6-4-3-5-11(12)2/h3-9,20H,1-2H3,(H3,17,18,19)/p+1.
What are the key properties of [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium?
[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium has a molecular weight of 268.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium is sourced from PubChem (CID 142975902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).