4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine

C14H18FNOS — CID 103392380

IUPAC4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1cccc2ccsc12
InChIInChI=1S/C14H18FNOS/c1-17-10-14(15,7-3-8-16)12-5-2-4-11-6-9-18-13(11)12/h2,4-6,9H,3,7-8,10,16H2,1H3
InChIKeySNDBNNDNDKAPLI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.45
Rot. Bonds6

About 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine

4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392380) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392380
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1cccc2ccsc12
InChIInChI=1S/C14H18FNOS/c1-17-10-14(15,7-3-8-16)12-5-2-4-11-6-9-18-13(11)12/h2,4-6,9H,3,7-8,10,16H2,1H3
InChIKeySNDBNNDNDKAPLI-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine (CID 103392380) is 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)c1cccc2ccsc12.
What is the InChIKey of 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is SNDBNNDNDKAPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-17-10-14(15,7-3-8-16)12-5-2-4-11-6-9-18-13(11)12/h2,4-6,9H,3,7-8,10,16H2,1H3.
What are the key properties of 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).