[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine

C15H20FN — CID 65003215

IUPAC[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine
SMILESNCC1(c2ccccc2F)CC2(CCCC2)C1
InChIInChI=1S/C15H20FN/c16-13-6-2-1-5-12(13)15(11-17)9-14(10-15)7-3-4-8-14/h1-2,5-6H,3-4,7-11,17H2
InChIKeyAFFRESBTPLQBAF-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.38
Rot. Bonds2

About [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine

[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine (PubChem CID 65003215) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine
PubChem CID65003215
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine
SMILESNCC1(c2ccccc2F)CC2(CCCC2)C1
InChIInChI=1S/C15H20FN/c16-13-6-2-1-5-12(13)15(11-17)9-14(10-15)7-3-4-8-14/h1-2,5-6H,3-4,7-11,17H2
InChIKeyAFFRESBTPLQBAF-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008487
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002721
1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006915
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 82802471
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 65006500
[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
CID 66096585
[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008172
1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
CID 83693048
[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66096162

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine?
The IUPAC name of [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine (CID 65003215) is [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine.
What is the SMILES notation for [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine?
The canonical SMILES for [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine is NCC1(c2ccccc2F)CC2(CCCC2)C1.
What is the InChIKey of [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine?
The InChIKey is AFFRESBTPLQBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c16-13-6-2-1-5-12(13)15(11-17)9-14(10-15)7-3-4-8-14/h1-2,5-6H,3-4,7-11,17H2.
What are the key properties of [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine?
[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine has a molecular weight of 233.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine is sourced from PubChem (CID 65003215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).