(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

C15H23FN2 — CID 63368240

IUPAC(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCCC1CCCCN1c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C15H23FN2/c1-3-13-6-4-5-9-18(13)15-8-7-12(16)10-14(15)11(2)17/h7-8,10-11,13H,3-6,9,17H2,1-2H3/t11-,13?/m1/s1
InChIKeyBHHXLKFBCXDLMU-JTDNENJMSA-N
MW250.36 g/mol
LogP3.61
Rot. Bonds3

About (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 63368240) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
PubChem CID63368240
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCCC1CCCCN1c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C15H23FN2/c1-3-13-6-4-5-9-18(13)15-8-7-12(16)10-14(15)11(2)17/h7-8,10-11,13H,3-6,9,17H2,1-2H3/t11-,13?/m1/s1
InChIKeyBHHXLKFBCXDLMU-JTDNENJMSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluorophenyl]ethanamine
CID 102726753
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
(1S)-1-[5-fluoro-2-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056372
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-fluorophenyl]ethanamine
CID 65320484
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
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (CID 63368240) is (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is CCC1CCCCN1c1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is BHHXLKFBCXDLMU-JTDNENJMSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-13-6-4-5-9-18(13)15-8-7-12(16)10-14(15)11(2)17/h7-8,10-11,13H,3-6,9,17H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63368240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).