(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine

C18H27FN2 — CID 63368928

IUPAC(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H27FN2/c1-14(20)17-15(19)6-5-7-16(17)21-12-10-18(11-13-21)8-3-2-4-9-18/h5-7,14H,2-4,8-13,20H2,1H3/t14-/m1/s1
InChIKeyCHWFSTCFYPHAII-CQSZACIVSA-N
MW290.43 g/mol
LogP4.40
Rot. Bonds2

About (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine

(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine (PubChem CID 63368928) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
PubChem CID63368928
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H27FN2/c1-14(20)17-15(19)6-5-7-16(17)21-12-10-18(11-13-21)8-3-2-4-9-18/h5-7,14H,2-4,8-13,20H2,1H3/t14-/m1/s1
InChIKeyCHWFSTCFYPHAII-CQSZACIVSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
(1S)-1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 78935058
1-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974495
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62993795
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 115560206

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine (CID 63368928) is (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine is C[C@@H](N)c1c(F)cccc1N1CCC2(CCCCC2)CC1.
What is the InChIKey of (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine?
The InChIKey is CHWFSTCFYPHAII-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14(20)17-15(19)6-5-7-16(17)21-12-10-18(11-13-21)8-3-2-4-9-18/h5-7,14H,2-4,8-13,20H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine?
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 63368928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).