2-(2,4-diamino-6-phenylanilino)ethanol

C14H17N3O — CID 156539300

IUPAC2-(2,4-diamino-6-phenylanilino)ethanol
SMILESNc1cc(N)c(NCCO)c(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O/c15-11-8-12(10-4-2-1-3-5-10)14(13(16)9-11)17-6-7-18/h1-5,8-9,17-18H,6-7,15-16H2
InChIKeyXCBJCNQFELXTCT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.92
Rot. Bonds4

About 2-(2,4-diamino-6-phenylanilino)ethanol

2-(2,4-diamino-6-phenylanilino)ethanol (PubChem CID 156539300) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2,4-diamino-6-phenylanilino)ethanol.

Molecular Properties

Compound Name2-(2,4-diamino-6-phenylanilino)ethanol
PubChem CID156539300
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2,4-diamino-6-phenylanilino)ethanol
SMILESNc1cc(N)c(NCCO)c(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O/c15-11-8-12(10-4-2-1-3-5-10)14(13(16)9-11)17-6-7-18/h1-5,8-9,17-18H,6-7,15-16H2
InChIKeyXCBJCNQFELXTCT-UHFFFAOYSA-N
XLogP1.92
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diamino-6-phenylanilino)ethanol?
The IUPAC name of 2-(2,4-diamino-6-phenylanilino)ethanol (CID 156539300) is 2-(2,4-diamino-6-phenylanilino)ethanol.
What is the SMILES notation for 2-(2,4-diamino-6-phenylanilino)ethanol?
The canonical SMILES for 2-(2,4-diamino-6-phenylanilino)ethanol is Nc1cc(N)c(NCCO)c(-c2ccccc2)c1.
What is the InChIKey of 2-(2,4-diamino-6-phenylanilino)ethanol?
The InChIKey is XCBJCNQFELXTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-11-8-12(10-4-2-1-3-5-10)14(13(16)9-11)17-6-7-18/h1-5,8-9,17-18H,6-7,15-16H2.
What are the key properties of 2-(2,4-diamino-6-phenylanilino)ethanol?
2-(2,4-diamino-6-phenylanilino)ethanol has a molecular weight of 243.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diamino-6-phenylanilino)ethanol is sourced from PubChem (CID 156539300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).