4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol

C11H15BrFNO2 — CID 171227057

IUPAC4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
SMILESCCOc1cc([C@@H](N)CCF)cc(Br)c1O
InChIInChI=1S/C11H15BrFNO2/c1-2-16-10-6-7(9(14)3-4-13)5-8(12)11(10)15/h5-6,9,15H,2-4,14H2,1H3/t9-/m0/s1
InChIKeyBWZASXORDISADJ-VIFPVBQESA-N
MW292.15 g/mol
LogP2.91
Rot. Bonds5

About 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol

4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol (PubChem CID 171227057) has the molecular formula C11H15BrFNO2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
PubChem CID171227057
Molecular FormulaC11H15BrFNO2
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC Name4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
SMILESCCOc1cc([C@@H](N)CCF)cc(Br)c1O
InChIInChI=1S/C11H15BrFNO2/c1-2-16-10-6-7(9(14)3-4-13)5-8(12)11(10)15/h5-6,9,15H,2-4,14H2,1H3/t9-/m0/s1
InChIKeyBWZASXORDISADJ-VIFPVBQESA-N
XLogP2.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(1S)-1,5-diaminopentyl]-6-ethoxyphenol;hydrochloride
CID 171227035
4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
CID 171207508
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
CID 66516017
(3R)-3-amino-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260487
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-3-hydroxy-2,2-dimethylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171242179
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
4-(3-aminobutyl)-2-bromo-6-ethoxyphenol
CID 83954219
4-[(1S)-1-amino-4-methylpentyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226160
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol?
The IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol (CID 171227057) is 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol.
What is the SMILES notation for 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol?
The canonical SMILES for 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol is CCOc1cc([C@@H](N)CCF)cc(Br)c1O.
What is the InChIKey of 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol?
The InChIKey is BWZASXORDISADJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15BrFNO2/c1-2-16-10-6-7(9(14)3-4-13)5-8(12)11(10)15/h5-6,9,15H,2-4,14H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol?
4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol has a molecular weight of 292.15 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol is sourced from PubChem (CID 171227057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).