1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol

C14H18FNO — CID 114411335

IUPAC1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N2CC=CCC2)c(C(C)O)cc1F
InChIInChI=1S/C14H18FNO/c1-10-8-14(16-6-4-3-5-7-16)12(11(2)17)9-13(10)15/h3-4,8-9,11,17H,5-7H2,1-2H3
InChIKeyQZFAPJSYKHJDOW-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.95
Rot. Bonds2

About 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol

1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol (PubChem CID 114411335) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
PubChem CID114411335
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N2CC=CCC2)c(C(C)O)cc1F
InChIInChI=1S/C14H18FNO/c1-10-8-14(16-6-4-3-5-7-16)12(11(2)17)9-13(10)15/h3-4,8-9,11,17H,5-7H2,1-2H3
InChIKeyQZFAPJSYKHJDOW-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
(2-(4-Methylpiperazin-1-yl)phenyl)methanol
CID 2795567
m-(Dimethylamino)benzyl alcohol
CID 90133
10-Hydroxyimipramine
CID 160545
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10805222
2-(N-methylanilino)-1-phenylethanol
CID 229629
4-Quinolinol, 1,2,3,4-tetrahydro-1,3,3-trimethyl-
CID 99738
(2-(Pyrrolidin-1-yl)phenyl)methanol
CID 13021765
(2-(Diethylamino)phenyl)methanol
CID 13021763
Benzenemethanol, 2-(dimethylamino)-
CID 138325
10-HydroxytrImipramine
CID 154699869
(2-Amino-4-methylphenyl)(2-((dimethylamino)methyl)phenyl)methanol
CID 44408529

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol (CID 114411335) is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol is Cc1cc(N2CC=CCC2)c(C(C)O)cc1F.
What is the InChIKey of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is QZFAPJSYKHJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-8-14(16-6-4-3-5-7-16)12(11(2)17)9-13(10)15/h3-4,8-9,11,17H,5-7H2,1-2H3.
What are the key properties of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 235.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 114411335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).