(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol

C17H18FNO2 — CID 124506000

IUPAC(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol
SMILESO[C@@H](CN1CCOc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c18-15-7-3-2-6-14(15)16(20)12-19-9-10-21-17-8-4-1-5-13(17)11-19/h1-8,16,20H,9-12H2/t16-/m0/s1
InChIKeyMAMLHAJGJYQOOF-INIZCTEOSA-N
MW287.33 g/mol
LogP2.75
Rot. Bonds3

About (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol

(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 124506000) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol
PubChem CID124506000
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol
SMILESO[C@@H](CN1CCOc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c18-15-7-3-2-6-14(15)16(20)12-19-9-10-21-17-8-4-1-5-13(17)11-19/h1-8,16,20H,9-12H2/t16-/m0/s1
InChIKeyMAMLHAJGJYQOOF-INIZCTEOSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bephenium
CID 19667
2-({[2-(Difluoromethoxy)phenyl]methyl}amino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647922
2-{[(2-Methoxyphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647923
2-({[2-(Prop-2-en-1-yloxy)phenyl]methyl}amino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647924
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647925
2-{[(2-Methoxyphenyl)methyl]amino}-1-(3-methylphenyl)ethan-1-ol
CID 23647927
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-(3-iodophenyl)ethan-1-ol
CID 23647930
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-[3-(hydroxymethyl)phenyl]ethan-1-ol
CID 23647932
[2-(2-Dimethylaminomethyl-phenoxy)-5-iodo-phenyl]-methanol
CID 9886288
1-[(4-Phenylmethoxyphenyl)methyl]piperidin-4-ol
CID 3574233
1-[2-(Allyloxy)benzyl]azepane
CID 2845805
1-[(2-Fluorophenyl)methoxy]-3-[methyl(2-phenoxyethyl)amino]propan-2-ol
CID 4410730

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol (CID 124506000) is (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol is O[C@@H](CN1CCOc2ccccc2C1)c1ccccc1F.
What is the InChIKey of (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is MAMLHAJGJYQOOF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-7-3-2-6-14(15)16(20)12-19-9-10-21-17-8-4-1-5-13(17)11-19/h1-8,16,20H,9-12H2/t16-/m0/s1.
What are the key properties of (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol?
(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol has a molecular weight of 287.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 124506000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).