(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

C14H15FN2O — CID 169081096

IUPAC(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(F)c([C@H](C)N)c2)cn1
InChIInChI=1S/C14H15FN2O/c1-9-3-4-12(8-17-9)18-11-5-6-14(15)13(7-11)10(2)16/h3-8,10H,16H2,1-2H3/t10-/m0/s1
InChIKeyMIMDLMIGHOMBPV-JTQLQIEISA-N
MW246.28 g/mol
LogP3.34
Rot. Bonds3

About (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 169081096) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
PubChem CID169081096
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(F)c([C@H](C)N)c2)cn1
InChIInChI=1S/C14H15FN2O/c1-9-3-4-12(8-17-9)18-11-5-6-14(15)13(7-11)10(2)16/h3-8,10H,16H2,1-2H3/t10-/m0/s1
InChIKeyMIMDLMIGHOMBPV-JTQLQIEISA-N
XLogP3.34
TPSA48.14 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 63369986
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
5-[(4-fluoro-3-propan-2-ylphenyl)methoxy]-2-methylpyridine
CID 163255135
3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline
CID 55031499
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
tert-butyl-[[2-carboxy-2-fluoro-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethyl]amino]-oxidosulfanium
CID 175210860
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (CID 169081096) is (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is Cc1ccc(Oc2ccc(F)c([C@H](C)N)c2)cn1.
What is the InChIKey of (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is MIMDLMIGHOMBPV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-3-4-12(8-17-9)18-11-5-6-14(15)13(7-11)10(2)16/h3-8,10H,16H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine has a molecular weight of 246.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 169081096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).