2-(2,5-diaminophenyl)ethanol

C16H24N4O2 — CID 160672831

IUPAC2-(2,5-diaminophenyl)ethanol
SMILESNc1ccc(N)c(CCO)c1.Nc1ccc(N)c(CCO)c1
InChIInChI=1S/2C8H12N2O/c2*9-7-1-2-8(10)6(5-7)3-4-11/h2*1-2,5,11H,3-4,9-10H2
InChIKeyRNDPMHDHEZTYMO-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.77
Rot. Bonds4

About 2-(2,5-diaminophenyl)ethanol

2-(2,5-diaminophenyl)ethanol (PubChem CID 160672831) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2,5-diaminophenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-diaminophenyl)ethanol
PubChem CID160672831
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(2,5-diaminophenyl)ethanol
SMILESNc1ccc(N)c(CCO)c1.Nc1ccc(N)c(CCO)c1
InChIInChI=1S/2C8H12N2O/c2*9-7-1-2-8(10)6(5-7)3-4-11/h2*1-2,5,11H,3-4,9-10H2
InChIKeyRNDPMHDHEZTYMO-UHFFFAOYSA-N
XLogP0.77
TPSA144.54 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 50.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
CID 174915538
2-(2-amino-5-ethenylphenyl)ethanol
CID 91295799
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
CID 23440231
2-[2-amino-5-(3-aminoanilino)phenyl]ethanol
CID 174673672
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
2-(2-trimethylsilylethyl)benzene-1,4-diamine;dihydrochloride
CID 22222846
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385
2-[2-amino-5-(3-fluorophenyl)phenyl]ethanol
CID 70108896
4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
CID 23437250
1-bromo-3-(2,5-diaminophenyl)propan-2-one
CID 131191278
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
2-[(2,4-diaminophenoxy)methyl]benzene-1,4-diamine
CID 57055937

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diaminophenyl)ethanol?
The IUPAC name of 2-(2,5-diaminophenyl)ethanol (CID 160672831) is 2-(2,5-diaminophenyl)ethanol.
What is the SMILES notation for 2-(2,5-diaminophenyl)ethanol?
The canonical SMILES for 2-(2,5-diaminophenyl)ethanol is Nc1ccc(N)c(CCO)c1.Nc1ccc(N)c(CCO)c1.
What is the InChIKey of 2-(2,5-diaminophenyl)ethanol?
The InChIKey is RNDPMHDHEZTYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12N2O/c2*9-7-1-2-8(10)6(5-7)3-4-11/h2*1-2,5,11H,3-4,9-10H2.
What are the key properties of 2-(2,5-diaminophenyl)ethanol?
2-(2,5-diaminophenyl)ethanol has a molecular weight of 304.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diaminophenyl)ethanol is sourced from PubChem (CID 160672831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).