(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine

C15H23FN2O — CID 102959105

IUPAC(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
SMILESCOC1CCCN(c2cc(C)c(F)cc2[C@H](C)N)C1
InChIInChI=1S/C15H23FN2O/c1-10-7-15(13(11(2)17)8-14(10)16)18-6-4-5-12(9-18)19-3/h7-8,11-12H,4-6,9,17H2,1-3H3/t11-,12?/m0/s1
InChIKeyVBLHHLSTZHPDCV-PXYINDEMSA-N
MW266.36 g/mol
LogP2.77
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine

(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine (PubChem CID 102959105) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
PubChem CID102959105
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
SMILESCOC1CCCN(c2cc(C)c(F)cc2[C@H](C)N)C1
InChIInChI=1S/C15H23FN2O/c1-10-7-15(13(11(2)17)8-14(10)16)18-6-4-5-12(9-18)19-3/h7-8,11-12H,4-6,9,17H2,1-3H3/t11-,12?/m0/s1
InChIKeyVBLHHLSTZHPDCV-PXYINDEMSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol
CID 107227741
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
CID 114678954
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine
CID 102959097
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781840
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744273
1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968802
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968801
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine (CID 102959105) is (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine is COC1CCCN(c2cc(C)c(F)cc2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine?
The InChIKey is VBLHHLSTZHPDCV-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-7-15(13(11(2)17)8-14(10)16)18-6-4-5-12(9-18)19-3/h7-8,11-12H,4-6,9,17H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine?
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine is sourced from PubChem (CID 102959105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).