1-(2,5-diaminophenyl)propane-1,2-diol

C9H14N2O2 — CID 142719749

IUPAC1-(2,5-diaminophenyl)propane-1,2-diol
SMILESCC(O)C(O)c1cc(N)ccc1N
InChIInChI=1S/C9H14N2O2/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5,9,12-13H,10-11H2,1H3
InChIKeyBYJIREDBKHAJLD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.27
Rot. Bonds2

About 1-(2,5-diaminophenyl)propane-1,2-diol

1-(2,5-diaminophenyl)propane-1,2-diol (PubChem CID 142719749) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2,5-diaminophenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(2,5-diaminophenyl)propane-1,2-diol
PubChem CID142719749
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2,5-diaminophenyl)propane-1,2-diol
SMILESCC(O)C(O)c1cc(N)ccc1N
InChIInChI=1S/C9H14N2O2/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5,9,12-13H,10-11H2,1H3
InChIKeyBYJIREDBKHAJLD-UHFFFAOYSA-N
XLogP0.27
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
1-(2-amino-5-propan-2-ylphenyl)butane-1,2,4-triol
CID 171872717
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
1-(5-amino-2-ethylphenyl)ethanol
CID 143497915
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
CID 131118871
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
1-(2,4-diaminophenyl)-2-methoxy-3-methylbutan-1-ol
CID 163709207
S-[3-(2-amino-5-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822050
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
1-(5-amino-2-chlorophenyl)-3-chloropropane-1,2-diol
CID 171861726

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diaminophenyl)propane-1,2-diol?
The IUPAC name of 1-(2,5-diaminophenyl)propane-1,2-diol (CID 142719749) is 1-(2,5-diaminophenyl)propane-1,2-diol.
What is the SMILES notation for 1-(2,5-diaminophenyl)propane-1,2-diol?
The canonical SMILES for 1-(2,5-diaminophenyl)propane-1,2-diol is CC(O)C(O)c1cc(N)ccc1N.
What is the InChIKey of 1-(2,5-diaminophenyl)propane-1,2-diol?
The InChIKey is BYJIREDBKHAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5,9,12-13H,10-11H2,1H3.
What are the key properties of 1-(2,5-diaminophenyl)propane-1,2-diol?
1-(2,5-diaminophenyl)propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diaminophenyl)propane-1,2-diol is sourced from PubChem (CID 142719749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).