(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine

C16H25FN2 — CID 104939708

IUPAC(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CC(C)C(C)N(c2ccc(F)cc2[C@@H](C)N)C1
InChIInChI=1S/C16H25FN2/c1-10-7-11(2)13(4)19(9-10)16-6-5-14(17)8-15(16)12(3)18/h5-6,8,10-13H,7,9,18H2,1-4H3/t10?,11?,12-,13?/m1/s1
InChIKeyGUFZEPWZDVFDEW-AYNROABZSA-N
MW264.39 g/mol
LogP3.72
Rot. Bonds2

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

(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 104939708) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID104939708
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CC(C)C(C)N(c2ccc(F)cc2[C@@H](C)N)C1
InChIInChI=1S/C16H25FN2/c1-10-7-11(2)13(4)19(9-10)16-6-5-14(17)8-15(16)12(3)18/h5-6,8,10-13H,7,9,18H2,1-4H3/t10?,11?,12-,13?/m1/s1
InChIKeyGUFZEPWZDVFDEW-AYNROABZSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
CID 114594058
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 55190676
5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)benzoic acid
CID 114593911
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
CID 114593654
(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944403
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
N-[[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594212

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine (CID 104939708) is (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine is CC1CC(C)C(C)N(c2ccc(F)cc2[C@@H](C)N)C1.
What is the InChIKey of (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is GUFZEPWZDVFDEW-AYNROABZSA-N. The full InChI is InChI=1S/C16H25FN2/c1-10-7-11(2)13(4)19(9-10)16-6-5-14(17)8-15(16)12(3)18/h5-6,8,10-13H,7,9,18H2,1-4H3/t10?,11?,12-,13?/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 104939708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).