(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

C15H23FN2 — CID 55190676

IUPAC(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC1CCCN(c2ccc(F)cc2[C@H](C)N)C1C
InChIInChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(16)9-14(15)11(2)17/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyQISMMNWOSZQJQS-CXQJBGSLSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds2

About (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 55190676) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
PubChem CID55190676
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC1CCCN(c2ccc(F)cc2[C@H](C)N)C1C
InChIInChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(16)9-14(15)11(2)17/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyQISMMNWOSZQJQS-CXQJBGSLSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluorophenyl]ethanamine
CID 102726753
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-fluorophenyl]ethanamine
CID 65320484
(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939708
(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 78935591
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
CID 62124073
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
CID 79603304
(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 114069110
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
CID 104871226

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (CID 55190676) is (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is CC1CCCN(c2ccc(F)cc2[C@H](C)N)C1C.
What is the InChIKey of (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is QISMMNWOSZQJQS-CXQJBGSLSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(16)9-14(15)11(2)17/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 55190676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).