(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine

C17H27FN2 — CID 104939710

IUPAC(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCc1cc(N2CC(C)CC(C)C2C)c([C@H](C)N)cc1F
InChIInChI=1S/C17H27FN2/c1-10-6-11(2)14(5)20(9-10)17-7-12(3)16(18)8-15(17)13(4)19/h7-8,10-11,13-14H,6,9,19H2,1-5H3/t10?,11?,13-,14?/m0/s1
InChIKeyMROJITKFYHUJPA-QHNNHONCSA-N
MW278.42 g/mol
LogP4.02
Rot. Bonds2

About (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 104939710) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID104939710
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCc1cc(N2CC(C)CC(C)C2C)c([C@H](C)N)cc1F
InChIInChI=1S/C17H27FN2/c1-10-6-11(2)14(5)20(9-10)17-7-12(3)16(18)8-15(17)13(4)19/h7-8,10-11,13-14H,6,9,19H2,1-5H3/t10?,11?,13-,14?/m0/s1
InChIKeyMROJITKFYHUJPA-QHNNHONCSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine (CID 104939710) is (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine is Cc1cc(N2CC(C)CC(C)C2C)c([C@H](C)N)cc1F.
What is the InChIKey of (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is MROJITKFYHUJPA-QHNNHONCSA-N. The full InChI is InChI=1S/C17H27FN2/c1-10-6-11(2)14(5)20(9-10)17-7-12(3)16(18)8-15(17)13(4)19/h7-8,10-11,13-14H,6,9,19H2,1-5H3/t10?,11?,13-,14?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 104939710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).