[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine

C16H23FN2 — CID 63156540

IUPAC[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C16H23FN2/c17-14-11-13(12-18)3-4-15(14)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2
InChIKeyGMYDXVYZNCRGMJ-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.44
Rot. Bonds2

About [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine

[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine (PubChem CID 63156540) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
PubChem CID63156540
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C16H23FN2/c17-14-11-13(12-18)3-4-15(14)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2
InChIKeyGMYDXVYZNCRGMJ-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
CID 55165060
[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine
CID 107932929
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
CID 78941148
1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 55004144
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]ethanamine
CID 63783750
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553
8-[2-chloro-4-(chloromethyl)phenyl]-8-azaspiro[4.5]decane
CID 81151754
3-fluoro-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline
CID 142373155
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
1-[6-[4-(aminomethyl)-2-fluorophenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 155770117

Frequently Asked Questions

What is the IUPAC name of [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine (CID 63156540) is [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine is NCc1ccc(N2CCC3(CCCC3)CC2)c(F)c1.
What is the InChIKey of [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine?
The InChIKey is GMYDXVYZNCRGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-14-11-13(12-18)3-4-15(14)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2.
What are the key properties of [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine?
[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine has a molecular weight of 262.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 63156540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).