(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol

C15H17FN2O — CID 83131523

IUPAC(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H17FN2O/c1-11(19)15-8-7-14(9-17-15)18(2)10-12-3-5-13(16)6-4-12/h3-9,11,19H,10H2,1-2H3/t11-/m0/s1
InChIKeyJMCQCYFFEUNZJV-NSHDSACASA-N
MW260.31 g/mol
LogP2.91
Rot. Bonds4

About (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol

(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol (PubChem CID 83131523) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
PubChem CID83131523
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H17FN2O/c1-11(19)15-8-7-14(9-17-15)18(2)10-12-3-5-13(16)6-4-12/h3-9,11,19H,10H2,1-2H3/t11-/m0/s1
InChIKeyJMCQCYFFEUNZJV-NSHDSACASA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol (CID 83131523) is (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol is C[C@H](O)c1ccc(N(C)Cc2ccc(F)cc2)cn1.
What is the InChIKey of (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol?
The InChIKey is JMCQCYFFEUNZJV-NSHDSACASA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(19)15-8-7-14(9-17-15)18(2)10-12-3-5-13(16)6-4-12/h3-9,11,19H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol?
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol has a molecular weight of 260.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83131523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).