2-amino-4-[(1R)-1-hydroxyethyl]phenol

C8H11NO2 — CID 96570825

IUPAC2-amino-4-[(1R)-1-hydroxyethyl]phenol
SMILESC[C@@H](O)c1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5,10-11H,9H2,1H3/t5-/m1/s1
InChIKeyMTYZTRGWEZOWIS-RXMQYKEDSA-N
MW153.18 g/mol
LogP1.03
Rot. Bonds1

About 2-amino-4-[(1R)-1-hydroxyethyl]phenol

2-amino-4-[(1R)-1-hydroxyethyl]phenol (PubChem CID 96570825) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-4-[(1R)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-amino-4-[(1R)-1-hydroxyethyl]phenol
PubChem CID96570825
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-amino-4-[(1R)-1-hydroxyethyl]phenol
SMILESC[C@@H](O)c1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5,10-11H,9H2,1H3/t5-/m1/s1
InChIKeyMTYZTRGWEZOWIS-RXMQYKEDSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
1-(4-amino-3-chlorophenyl)ethanol
CID 126971129
(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
CID 124908033
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
1-(3-amino-4-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873882
1-(3-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
CID 171893590
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one
CID 82064058
2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1R)-1-hydroxyethyl]phenol?
The IUPAC name of 2-amino-4-[(1R)-1-hydroxyethyl]phenol (CID 96570825) is 2-amino-4-[(1R)-1-hydroxyethyl]phenol.
What is the SMILES notation for 2-amino-4-[(1R)-1-hydroxyethyl]phenol?
The canonical SMILES for 2-amino-4-[(1R)-1-hydroxyethyl]phenol is C[C@@H](O)c1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-[(1R)-1-hydroxyethyl]phenol?
The InChIKey is MTYZTRGWEZOWIS-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5,10-11H,9H2,1H3/t5-/m1/s1.
What are the key properties of 2-amino-4-[(1R)-1-hydroxyethyl]phenol?
2-amino-4-[(1R)-1-hydroxyethyl]phenol has a molecular weight of 153.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1R)-1-hydroxyethyl]phenol is sourced from PubChem (CID 96570825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).