4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine

C15H20FNOS — CID 103392473

IUPAC4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1csc2ccccc12
InChIInChI=1S/C15H20FNOS/c1-18-11-15(16,7-4-8-17)9-12-10-19-14-6-3-2-5-13(12)14/h2-3,5-6,10H,4,7-9,11,17H2,1H3
InChIKeyYXRDGTLFAXHJSU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.54
Rot. Bonds7

About 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine

4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392473) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392473
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1csc2ccccc12
InChIInChI=1S/C15H20FNOS/c1-18-11-15(16,7-4-8-17)9-12-10-19-14-6-3-2-5-13(12)14/h2-3,5-6,10H,4,7-9,11,17H2,1H3
InChIKeyYXRDGTLFAXHJSU-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine (CID 103392473) is 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)Cc1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is YXRDGTLFAXHJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-18-11-15(16,7-4-8-17)9-12-10-19-14-6-3-2-5-13(12)14/h2-3,5-6,10H,4,7-9,11,17H2,1H3.
What are the key properties of 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine?
4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).