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

C12H18BrNO3 — CID 171207508

IUPAC4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
SMILESCCOc1cc([C@H](N)CCCO)cc(Br)c1O
InChIInChI=1S/C12H18BrNO3/c1-2-17-11-7-8(6-9(13)12(11)16)10(14)4-3-5-15/h6-7,10,15-16H,2-5,14H2,1H3/t10-/m1/s1
InChIKeyJOYXKEYHOPVVAU-SNVBAGLBSA-N
MW304.18 g/mol
LogP2.33
Rot. Bonds6

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

4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol (PubChem CID 171207508) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
PubChem CID171207508
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
SMILESCCOc1cc([C@H](N)CCCO)cc(Br)c1O
InChIInChI=1S/C12H18BrNO3/c1-2-17-11-7-8(6-9(13)12(11)16)10(14)4-3-5-15/h6-7,10,15-16H,2-5,14H2,1H3/t10-/m1/s1
InChIKeyJOYXKEYHOPVVAU-SNVBAGLBSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol with MolForge

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Related Compounds

4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
CID 171227057
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
CID 66516017
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-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171242179
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
2-bromo-4-[(1S)-1,4-diaminobutyl]-6-methoxyphenol
CID 171226118
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
4-[(1S)-1-aminopentyl]-2,6-dibromophenol;hydrochloride
CID 171219518
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol?
The IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol (CID 171207508) is 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol.
What is the SMILES notation for 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol?
The canonical SMILES for 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol is CCOc1cc([C@H](N)CCCO)cc(Br)c1O.
What is the InChIKey of 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol?
The InChIKey is JOYXKEYHOPVVAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-2-17-11-7-8(6-9(13)12(11)16)10(14)4-3-5-15/h6-7,10,15-16H,2-5,14H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol?
4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol has a molecular weight of 304.18 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol is sourced from PubChem (CID 171207508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).