N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C14H16FNOS — CID 54996870

IUPACN-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccc2sc(CNCC3CCCO3)cc2c1
InChIInChI=1S/C14H16FNOS/c15-11-3-4-14-10(6-11)7-13(18-14)9-16-8-12-2-1-5-17-12/h3-4,6-7,12,16H,1-2,5,8-9H2
InChIKeyDAXZKZFOORRQLI-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.31
Rot. Bonds4

About N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 54996870) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID54996870
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccc2sc(CNCC3CCCO3)cc2c1
InChIInChI=1S/C14H16FNOS/c15-11-3-4-14-10(6-11)7-13(18-14)9-16-8-12-2-1-5-17-12/h3-4,6-7,12,16H,1-2,5,8-9H2
InChIKeyDAXZKZFOORRQLI-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 54996870) is N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine is Fc1ccc2sc(CNCC3CCCO3)cc2c1.
What is the InChIKey of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is DAXZKZFOORRQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c15-11-3-4-14-10(6-11)7-13(18-14)9-16-8-12-2-1-5-17-12/h3-4,6-7,12,16H,1-2,5,8-9H2.
What are the key properties of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 265.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 54996870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).