2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol

C16H23N3O3 — CID 18798766

IUPAC2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESCc1oc(-c2cc(N)ccc2N(CCO)CCO)c(C)c1N
InChIInChI=1S/C16H23N3O3/c1-10-15(18)11(2)22-16(10)13-9-12(17)3-4-14(13)19(5-7-20)6-8-21/h3-4,9,20-21H,5-8,17-18H2,1-2H3
InChIKeyUFQPFMYYKPUXQW-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.52
Rot. Bonds6

About 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol

2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 18798766) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID18798766
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESCc1oc(-c2cc(N)ccc2N(CCO)CCO)c(C)c1N
InChIInChI=1S/C16H23N3O3/c1-10-15(18)11(2)22-16(10)13-9-12(17)3-4-14(13)19(5-7-20)6-8-21/h3-4,9,20-21H,5-8,17-18H2,1-2H3
InChIKeyUFQPFMYYKPUXQW-UHFFFAOYSA-N
XLogP1.52
TPSA108.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol (CID 18798766) is 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol is Cc1oc(-c2cc(N)ccc2N(CCO)CCO)c(C)c1N.
What is the InChIKey of 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is UFQPFMYYKPUXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-15(18)11(2)22-16(10)13-9-12(17)3-4-14(13)19(5-7-20)6-8-21/h3-4,9,20-21H,5-8,17-18H2,1-2H3.
What are the key properties of 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 305.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 18798766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).