2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol

C14H18N2O3 — CID 18798978

IUPAC2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol
SMILESNc1cc(-c2ccco2)c(N)c(CCO)c1CCO
InChIInChI=1S/C14H18N2O3/c15-12-8-11(13-2-1-7-19-13)14(16)10(4-6-18)9(12)3-5-17/h1-2,7-8,17-18H,3-6,15-16H2
InChIKeySSXRUTVTIGUQHI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.18
Rot. Bonds5

About 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol

2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol (PubChem CID 18798978) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol
PubChem CID18798978
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol
SMILESNc1cc(-c2ccco2)c(N)c(CCO)c1CCO
InChIInChI=1S/C14H18N2O3/c15-12-8-11(13-2-1-7-19-13)14(16)10(4-6-18)9(12)3-5-17/h1-2,7-8,17-18H,3-6,15-16H2
InChIKeySSXRUTVTIGUQHI-UHFFFAOYSA-N
XLogP1.18
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-5-methylbenzene-1,4-diamine
CID 18798879
3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol
CID 70194710
2,4-dibromo-6-(furan-2-yl)aniline
CID 11267081
2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
3-[4-amino-2-(furan-2-yl)-6-(methylamino)phenyl]propane-1,2-diol
CID 70192819
2-[3-(furan-2-yl)-5-propan-2-yl-1H-pyrazol-4-yl]ethanol
CID 121212557
2-amino-3-(furan-2-yl)benzoic acid
CID 10798178
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
3-(furan-2-yl)-4-methylaniline
CID 61319019
5-ethoxy-2-(furan-2-yl)benzenecarboximidamide
CID 22042250
[2-chloro-6-(furan-2-yl)phenyl]methanamine
CID 174613355
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol?
The IUPAC name of 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol (CID 18798978) is 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol?
The canonical SMILES for 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol is Nc1cc(-c2ccco2)c(N)c(CCO)c1CCO.
What is the InChIKey of 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol?
The InChIKey is SSXRUTVTIGUQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-12-8-11(13-2-1-7-19-13)14(16)10(4-6-18)9(12)3-5-17/h1-2,7-8,17-18H,3-6,15-16H2.
What are the key properties of 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol?
2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-diamino-4-(furan-2-yl)-2-(2-hydroxyethyl)phenyl]ethanol is sourced from PubChem (CID 18798978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).