4-amino-3-(1-aminopropyl)phenol

C9H14N2O — CID 55282942

IUPAC4-amino-3-(1-aminopropyl)phenol
SMILESCCC(N)c1cc(O)ccc1N
InChIInChI=1S/C9H14N2O/c1-2-8(10)7-5-6(12)3-4-9(7)11/h3-5,8,12H,2,10-11H2,1H3
InChIKeyRUCLEXCEJIAQFB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.38
Rot. Bonds2

About 4-amino-3-(1-aminopropyl)phenol

4-amino-3-(1-aminopropyl)phenol (PubChem CID 55282942) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-amino-3-(1-aminopropyl)phenol.

Molecular Properties

Compound Name4-amino-3-(1-aminopropyl)phenol
PubChem CID55282942
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-amino-3-(1-aminopropyl)phenol
SMILESCCC(N)c1cc(O)ccc1N
InChIInChI=1S/C9H14N2O/c1-2-8(10)7-5-6(12)3-4-9(7)11/h3-5,8,12H,2,10-11H2,1H3
InChIKeyRUCLEXCEJIAQFB-UHFFFAOYSA-N
XLogP1.38
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1,2-diaminoethyl)phenol
CID 55283127
4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477
3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
CID 55269173
4-[(1S)-1-aminopropyl]benzene-1,3-diol;hydrochloride
CID 171219642
2-[(1S)-1-aminopropyl]-4-hydroxybenzonitrile
CID 130642076
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633
2-(1-aminopropyl)-4-(trifluoromethoxy)aniline
CID 112541231
5-amino-2-[(1R)-1-aminopropyl]phenol
CID 130738459
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,4-diol
CID 131036322
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-aminopropyl)phenol?
The IUPAC name of 4-amino-3-(1-aminopropyl)phenol (CID 55282942) is 4-amino-3-(1-aminopropyl)phenol.
What is the SMILES notation for 4-amino-3-(1-aminopropyl)phenol?
The canonical SMILES for 4-amino-3-(1-aminopropyl)phenol is CCC(N)c1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-(1-aminopropyl)phenol?
The InChIKey is RUCLEXCEJIAQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8(10)7-5-6(12)3-4-9(7)11/h3-5,8,12H,2,10-11H2,1H3.
What are the key properties of 4-amino-3-(1-aminopropyl)phenol?
4-amino-3-(1-aminopropyl)phenol has a molecular weight of 166.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-aminopropyl)phenol is sourced from PubChem (CID 55282942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).