(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C16H22FNOS — CID 79914958

IUPAC(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(c1ccccc1F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H22FNOS/c17-14-4-2-1-3-13(14)15(18)12-5-8-19-16(11-12)6-9-20-10-7-16/h1-4,12,15H,5-11,18H2
InChIKeyIWPNNYAUNASRRW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.52
Rot. Bonds2

About (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79914958) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79914958
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(c1ccccc1F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H22FNOS/c17-14-4-2-1-3-13(14)15(18)12-5-8-19-16(11-12)6-9-20-10-7-16/h1-4,12,15H,5-11,18H2
InChIKeyIWPNNYAUNASRRW-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107102855
(2-chloro-4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79909221
(3,5-difluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79908412
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808
(2-bromo-4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107994562
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
(2-bromo-4-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018090
(5-fluoro-2-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79913997
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 104804592

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 79914958) is (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is NC(c1ccccc1F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is IWPNNYAUNASRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-14-4-2-1-3-13(14)15(18)12-5-8-19-16(11-12)6-9-20-10-7-16/h1-4,12,15H,5-11,18H2.
What are the key properties of (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 295.42 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79914958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).