(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol

C18H20FNO — CID 78938471

IUPAC(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CCCc2ccccc2C1
InChIInChI=1S/C18H20FNO/c1-13(21)17-11-16(19)8-9-18(17)20-10-4-7-14-5-2-3-6-15(14)12-20/h2-3,5-6,8-9,11,13,21H,4,7,10,12H2,1H3/t13-/m0/s1
InChIKeyHPKMGKGOQFRBCP-ZDUSSCGKSA-N
MW285.36 g/mol
LogP3.83
Rot. Bonds2

About (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol

(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol (PubChem CID 78938471) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol
PubChem CID78938471
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CCCc2ccccc2C1
InChIInChI=1S/C18H20FNO/c1-13(21)17-11-16(19)8-9-18(17)20-10-4-7-14-5-2-3-6-15(14)12-20/h2-3,5-6,8-9,11,13,21H,4,7,10,12H2,1H3/t13-/m0/s1
InChIKeyHPKMGKGOQFRBCP-ZDUSSCGKSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol (CID 78938471) is (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol is C[C@H](O)c1cc(F)ccc1N1CCCc2ccccc2C1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol?
The InChIKey is HPKMGKGOQFRBCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13(21)17-11-16(19)8-9-18(17)20-10-4-7-14-5-2-3-6-15(14)12-20/h2-3,5-6,8-9,11,13,21H,4,7,10,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol has a molecular weight of 285.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol is sourced from PubChem (CID 78938471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).