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

C16H23N3O3 — CID 23287117

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

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

2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 23287117) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID23287117
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESCc1oc(C)c(-c2cc(N(CCO)CCO)ccc2N)c1N
InChIInChI=1S/C16H23N3O3/c1-10-15(16(18)11(2)22-10)13-9-12(3-4-14(13)17)19(5-7-20)6-8-21/h3-4,9,20-21H,5-8,17-18H2,1-2H3
InChIKeyQJDXGONIPHCXJS-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 18371790
2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol
CID 23286948
2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
CID 23286942
2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol
CID 18798861
2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde
CID 18798895
2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol
CID 18371918
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol
CID 69344978
5-[4-amino-N-(4-hydroxybutyl)-3-methylanilino]pentan-1-ol
CID 18004351
2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol
CID 18798766
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol
CID 22026558

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol (CID 23287117) is 2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol is Cc1oc(C)c(-c2cc(N(CCO)CCO)ccc2N)c1N.
What is the InChIKey of 2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is QJDXGONIPHCXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-15(16(18)11(2)22-10)13-9-12(3-4-14(13)17)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-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-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-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 23287117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).