2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol

C9H17FN2O — CID 163575739

IUPAC2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol
SMILESCC1C=C(CNCCO)C(F)NC1
InChIInChI=1S/C9H17FN2O/c1-7-4-8(6-11-2-3-13)9(10)12-5-7/h4,7,9,11-13H,2-3,5-6H2,1H3
InChIKeyGDHRNUROBOOMJE-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.03
Rot. Bonds4

About 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol

2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol (PubChem CID 163575739) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol
PubChem CID163575739
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol
SMILESCC1C=C(CNCCO)C(F)NC1
InChIInChI=1S/C9H17FN2O/c1-7-4-8(6-11-2-3-13)9(10)12-5-7/h4,7,9,11-13H,2-3,5-6H2,1H3
InChIKeyGDHRNUROBOOMJE-UHFFFAOYSA-N
XLogP0.03
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol (CID 163575739) is 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol is CC1C=C(CNCCO)C(F)NC1.
What is the InChIKey of 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol?
The InChIKey is GDHRNUROBOOMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7-4-8(6-11-2-3-13)9(10)12-5-7/h4,7,9,11-13H,2-3,5-6H2,1H3.
What are the key properties of 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol?
2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol has a molecular weight of 188.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylamino]ethanol is sourced from PubChem (CID 163575739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).