4-amino-3-(1,2-diaminoethyl)phenol

C8H13N3O — CID 55283127

IUPAC4-amino-3-(1,2-diaminoethyl)phenol
SMILESNCC(N)c1cc(O)ccc1N
InChIInChI=1S/C8H13N3O/c9-4-8(11)6-3-5(12)1-2-7(6)10/h1-3,8,12H,4,9-11H2
InChIKeyHMZLIKGFNYAVPA-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.07
Rot. Bonds2

About 4-amino-3-(1,2-diaminoethyl)phenol

4-amino-3-(1,2-diaminoethyl)phenol (PubChem CID 55283127) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-3-(1,2-diaminoethyl)phenol.

Molecular Properties

Compound Name4-amino-3-(1,2-diaminoethyl)phenol
PubChem CID55283127
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-3-(1,2-diaminoethyl)phenol
SMILESNCC(N)c1cc(O)ccc1N
InChIInChI=1S/C8H13N3O/c9-4-8(11)6-3-5(12)1-2-7(6)10/h1-3,8,12H,4,9-11H2
InChIKeyHMZLIKGFNYAVPA-UHFFFAOYSA-N
XLogP-0.07
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(1-aminopropyl)phenol
CID 55282942
3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
CID 55269173
(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine
CID 66517150
3-[(1S)-1,2-diaminoethyl]-4-nitrophenol
CID 55264320
4-amino-3-[(1R)-1,2-diaminoethyl]benzonitrile
CID 66516129
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
3-[(1S)-1-amino-3-fluoropropyl]-4-bromophenol;hydrochloride
CID 171223095
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
4-amino-2-[(1S)-1,2-diaminoethyl]-5-fluorophenol
CID 55273541

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,2-diaminoethyl)phenol?
The IUPAC name of 4-amino-3-(1,2-diaminoethyl)phenol (CID 55283127) is 4-amino-3-(1,2-diaminoethyl)phenol.
What is the SMILES notation for 4-amino-3-(1,2-diaminoethyl)phenol?
The canonical SMILES for 4-amino-3-(1,2-diaminoethyl)phenol is NCC(N)c1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-(1,2-diaminoethyl)phenol?
The InChIKey is HMZLIKGFNYAVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-8(11)6-3-5(12)1-2-7(6)10/h1-3,8,12H,4,9-11H2.
What are the key properties of 4-amino-3-(1,2-diaminoethyl)phenol?
4-amino-3-(1,2-diaminoethyl)phenol has a molecular weight of 167.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,2-diaminoethyl)phenol is sourced from PubChem (CID 55283127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).