4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol

C9H14N2O2 — CID 130658898

IUPAC4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
SMILESCC(O)[C@@H](N)c1cc(O)ccc1N
InChIInChI=1S/C9H14N2O2/c1-5(12)9(11)7-4-6(13)2-3-8(7)10/h2-5,9,12-13H,10-11H2,1H3/t5?,9-/m1/s1
InChIKeyAAKHQOGHGROMGE-OLAZFDQMSA-N
MW182.22 g/mol
LogP0.35
Rot. Bonds2

About 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol

4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol (PubChem CID 130658898) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
PubChem CID130658898
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
SMILESCC(O)[C@@H](N)c1cc(O)ccc1N
InChIInChI=1S/C9H14N2O2/c1-5(12)9(11)7-4-6(13)2-3-8(7)10/h2-5,9,12-13H,10-11H2,1H3/t5?,9-/m1/s1
InChIKeyAAKHQOGHGROMGE-OLAZFDQMSA-N
XLogP0.35
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 ≤ 50.35
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

2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
CID 131118871
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
CID 131128646
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633
4-amino-3-(1-aminopropyl)phenol
CID 55282942
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol?
The IUPAC name of 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol (CID 130658898) is 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol.
What is the SMILES notation for 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol?
The canonical SMILES for 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol is CC(O)[C@@H](N)c1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol?
The InChIKey is AAKHQOGHGROMGE-OLAZFDQMSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(12)9(11)7-4-6(13)2-3-8(7)10/h2-5,9,12-13H,10-11H2,1H3/t5?,9-/m1/s1.
What are the key properties of 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol?
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol has a molecular weight of 182.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol is sourced from PubChem (CID 130658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).