(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol

C14H15FN2O — CID 114056037

IUPAC(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(C)c1ccccc1F
InChIInChI=1S/C14H15FN2O/c1-10(18)11-6-5-9-16-14(11)17(2)13-8-4-3-7-12(13)15/h3-10,18H,1-2H3/t10-/m0/s1
InChIKeyVAUZXGKSBMXBSU-JTQLQIEISA-N
MW246.28 g/mol
LogP3.04
Rot. Bonds3

About (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol

(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol (PubChem CID 114056037) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
PubChem CID114056037
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(C)c1ccccc1F
InChIInChI=1S/C14H15FN2O/c1-10(18)11-6-5-9-16-14(11)17(2)13-8-4-3-7-12(13)15/h3-10,18H,1-2H3/t10-/m0/s1
InChIKeyVAUZXGKSBMXBSU-JTQLQIEISA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 114056087
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 55184318
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
CID 114056004
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
(1R)-1-(2-fluorophenyl)-2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 97136684
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
CID 114056480
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
CID 114055774

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol (CID 114056037) is (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol is C[C@H](O)c1cccnc1N(C)c1ccccc1F.
What is the InChIKey of (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol?
The InChIKey is VAUZXGKSBMXBSU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(18)11-6-5-9-16-14(11)17(2)13-8-4-3-7-12(13)15/h3-10,18H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol?
(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol has a molecular weight of 246.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol is sourced from PubChem (CID 114056037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).