N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine

C14H18FNOS — CID 55073014

IUPACN-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
SMILESCOCc1c(CNC(C)C)sc2cccc(F)c12
InChIInChI=1S/C14H18FNOS/c1-9(2)16-7-13-10(8-17-3)14-11(15)5-4-6-12(14)18-13/h4-6,9,16H,7-8H2,1-3H3
InChIKeyKAPHFRAZTMRKII-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.68
Rot. Bonds5

About N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine

N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine (PubChem CID 55073014) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
PubChem CID55073014
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
SMILESCOCc1c(CNC(C)C)sc2cccc(F)c12
InChIInChI=1S/C14H18FNOS/c1-9(2)16-7-13-10(8-17-3)14-11(15)5-4-6-12(14)18-13/h4-6,9,16H,7-8H2,1-3H3
InChIKeyKAPHFRAZTMRKII-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine (CID 55073014) is N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine is COCc1c(CNC(C)C)sc2cccc(F)c12.
What is the InChIKey of N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The InChIKey is KAPHFRAZTMRKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-9(2)16-7-13-10(8-17-3)14-11(15)5-4-6-12(14)18-13/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).