1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol

C13H18FNO — CID 122660658

IUPAC1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CNCc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-2-3-7-12(16)10-15-9-11-6-4-5-8-13(11)14/h2,4-6,8,12,15-16H,1,3,7,9-10H2
InChIKeyYDUNJDFGLLZLID-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.24
Rot. Bonds7

About 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol

1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol (PubChem CID 122660658) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
PubChem CID122660658
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CNCc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-2-3-7-12(16)10-15-9-11-6-4-5-8-13(11)14/h2,4-6,8,12,15-16H,1,3,7,9-10H2
InChIKeyYDUNJDFGLLZLID-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60632821
1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]hex-5-en-2-ol
CID 110020518
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
(2S)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]hex-5-en-2-ol
CID 93164306

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol (CID 122660658) is 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol is C=CCCC(O)CNCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol?
The InChIKey is YDUNJDFGLLZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-3-7-12(16)10-15-9-11-6-4-5-8-13(11)14/h2,4-6,8,12,15-16H,1,3,7,9-10H2.
What are the key properties of 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol?
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol has a molecular weight of 223.29 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol is sourced from PubChem (CID 122660658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).