(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine

C15H20FNS — CID 118205900

IUPAC(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)C12CC3CC(C1)C(F)C(C3)C2
InChIInChI=1S/C15H20FNS/c16-13-10-4-9-5-11(13)8-15(6-9,7-10)14(17)12-2-1-3-18-12/h1-3,9-11,13-14H,4-8,17H2
InChIKeyZJQINYQGHUHNIF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.91
Rot. Bonds2

About (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine

(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine (PubChem CID 118205900) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine
PubChem CID118205900
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)C12CC3CC(C1)C(F)C(C3)C2
InChIInChI=1S/C15H20FNS/c16-13-10-4-9-5-11(13)8-15(6-9,7-10)14(17)12-2-1-3-18-12/h1-3,9-11,13-14H,4-8,17H2
InChIKeyZJQINYQGHUHNIF-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine?
The IUPAC name of (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine (CID 118205900) is (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine is NC(c1cccs1)C12CC3CC(C1)C(F)C(C3)C2.
What is the InChIKey of (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine?
The InChIKey is ZJQINYQGHUHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNS/c16-13-10-4-9-5-11(13)8-15(6-9,7-10)14(17)12-2-1-3-18-12/h1-3,9-11,13-14H,4-8,17H2.
What are the key properties of (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine?
(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 118205900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).