4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol

C10H14BrNO3 — CID 66516017

IUPAC4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
SMILESCCOc1cc([C@@H](N)CO)cc(Br)c1O
InChIInChI=1S/C10H14BrNO3/c1-2-15-9-4-6(8(12)5-13)3-7(11)10(9)14/h3-4,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
InChIKeyQHNIQZMZSROFJV-QMMMGPOBSA-N
MW276.13 g/mol
LogP1.55
Rot. Bonds4

About 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol

4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol (PubChem CID 66516017) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
PubChem CID66516017
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
SMILESCCOc1cc([C@@H](N)CO)cc(Br)c1O
InChIInChI=1S/C10H14BrNO3/c1-2-15-9-4-6(8(12)5-13)3-7(11)10(9)14/h3-4,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
InChIKeyQHNIQZMZSROFJV-QMMMGPOBSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
CID 171207508
4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
CID 171227057
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171242179
2-bromo-4-[(1S)-1,5-diaminopentyl]-6-ethoxyphenol;hydrochloride
CID 171227035
(3R)-3-amino-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260487
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961
4-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171268979
4-(3-aminobutyl)-2-bromo-6-ethoxyphenol
CID 83954219
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
S-[3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823177

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol?
The IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol (CID 66516017) is 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol.
What is the SMILES notation for 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol?
The canonical SMILES for 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol is CCOc1cc([C@@H](N)CO)cc(Br)c1O.
What is the InChIKey of 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol?
The InChIKey is QHNIQZMZSROFJV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-2-15-9-4-6(8(12)5-13)3-7(11)10(9)14/h3-4,8,13-14H,2,5,12H2,1H3/t8-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol?
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol has a molecular weight of 276.13 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol is sourced from PubChem (CID 66516017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).