2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol

C13H14N2O3 — CID 22289992

IUPAC2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol
SMILESNc1ccc(C(O)c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C13H14N2O3/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13,16-18H,14-15H2
InChIKeyZCSTZJWECIDZFW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol

2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol (PubChem CID 22289992) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol
PubChem CID22289992
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol
SMILESNc1ccc(C(O)c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C13H14N2O3/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13,16-18H,14-15H2
InChIKeyZCSTZJWECIDZFW-UHFFFAOYSA-N
XLogP1.34
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300
1-(4-amino-3-hydroxyphenyl)propane-1,2,3-triol
CID 170817629
1-(4-amino-3-hydroxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170819644
1-(4-amino-3-hydroxyphenyl)-3-chloropropane-1,2-diol
CID 171861803
2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenol
CID 12994034
4-amino-1-(4-amino-3-hydroxyphenyl)butane-1,2-diol
CID 171881025
methyl 3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863832
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
2-amino-5-[amino(cyclobutyl)methyl]phenol
CID 130061977
(3S)-3-amino-3-(4-amino-3-hydroxyphenyl)propanenitrile
CID 130619063
(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
CID 91678464
1-(4-amino-3-hydroxyphenyl)-4-azidobutane-1,2-diol
CID 171879233

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol?
The IUPAC name of 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol (CID 22289992) is 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol.
What is the SMILES notation for 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol?
The canonical SMILES for 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol is Nc1ccc(C(O)c2ccc(N)c(O)c2)cc1O.
What is the InChIKey of 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol?
The InChIKey is ZCSTZJWECIDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13,16-18H,14-15H2.
What are the key properties of 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol?
2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol has a molecular weight of 246.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol is sourced from PubChem (CID 22289992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).