(1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine

C15H20FN3O — CID 166664198

IUPAC(1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine
SMILESCc1cc2c([C@H](C)N)cnc(OCC(C)(C)F)c2cn1
InChIInChI=1S/C15H20FN3O/c1-9-5-11-12(10(2)17)6-19-14(13(11)7-18-9)20-8-15(3,4)16/h5-7,10H,8,17H2,1-4H3/t10-/m0/s1
InChIKeyUUNUXXDRRMKVTB-JTQLQIEISA-N
MW277.34 g/mol
LogP3.08
Rot. Bonds4

About (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine

(1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine (PubChem CID 166664198) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine
PubChem CID166664198
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine
SMILESCc1cc2c([C@H](C)N)cnc(OCC(C)(C)F)c2cn1
InChIInChI=1S/C15H20FN3O/c1-9-5-11-12(10(2)17)6-19-14(13(11)7-18-9)20-8-15(3,4)16/h5-7,10H,8,17H2,1-4H3/t10-/m0/s1
InChIKeyUUNUXXDRRMKVTB-JTQLQIEISA-N
XLogP3.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine?
The IUPAC name of (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine (CID 166664198) is (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine is Cc1cc2c([C@H](C)N)cnc(OCC(C)(C)F)c2cn1.
What is the InChIKey of (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine?
The InChIKey is UUNUXXDRRMKVTB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20FN3O/c1-9-5-11-12(10(2)17)6-19-14(13(11)7-18-9)20-8-15(3,4)16/h5-7,10H,8,17H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine?
(1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine is sourced from PubChem (CID 166664198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).