3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol

C14H17N3O2 — CID 18371925

IUPAC3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol
SMILESNc1cc(O)cc(-c2cc(N)ccc2NCCO)c1
InChIInChI=1S/C14H17N3O2/c15-10-1-2-14(17-3-4-18)13(8-10)9-5-11(16)7-12(19)6-9/h1-2,5-8,17-19H,3-4,15-16H2
InChIKeyYELNVNROQXHZOY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds4

About 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol

3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol (PubChem CID 18371925) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol.

Molecular Properties

Compound Name3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol
PubChem CID18371925
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol
SMILESNc1cc(O)cc(-c2cc(N)ccc2NCCO)c1
InChIInChI=1S/C14H17N3O2/c15-10-1-2-14(17-3-4-18)13(8-10)9-5-11(16)7-12(19)6-9/h1-2,5-8,17-19H,3-4,15-16H2
InChIKeyYELNVNROQXHZOY-UHFFFAOYSA-N
XLogP1.63
TPSA104.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Hydroxyethylamino)-2-methylphenol
CID 134396
3-[[2-Hydroxy-2-(4-phenylphenyl)ethyl]amino]phenol
CID 155758991
7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 5492526
3-(4-Hydroxy-phenyl)-1,2,3,4-tetrahydroquinolin-7-ol
CID 25027904
Ammonium, (5-hydroxy-3-biphenylyl)trimethyl-, bromide
CID 3050738
3-[2-(2,2-Dimethyl-4-phenyloxan-4-yl)ethylamino]phenol
CID 53387716
N-(3-benzyl-5-hydroxyphenyl)acetamide
CID 145991268
3-(Benzylamino)phenol
CID 12713133
4-Amino-2-{[(3-hydroxyphenyl)amino]methyl}phenol
CID 18356589
5-(1-Hydroxy-2-(isopropylamino)butyl)-7-hydroxycarbostyril
CID 5492525
4-(5,5-Difluoropentyl)-1,2-dihydroquinoline-2,7-diol
CID 123782490
5-Ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol
CID 163223065

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol?
The IUPAC name of 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol (CID 18371925) is 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol.
What is the SMILES notation for 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol?
The canonical SMILES for 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol is Nc1cc(O)cc(-c2cc(N)ccc2NCCO)c1.
What is the InChIKey of 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol?
The InChIKey is YELNVNROQXHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-10-1-2-14(17-3-4-18)13(8-10)9-5-11(16)7-12(19)6-9/h1-2,5-8,17-19H,3-4,15-16H2.
What are the key properties of 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol?
3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol is sourced from PubChem (CID 18371925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).