N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine

C15H21FN2OS — CID 62429835

IUPACN-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1c(CN)sc2cccc(F)c12
InChIInChI=1S/C15H21FN2OS/c1-10(9-19-3)18(2)8-11-14(7-17)20-13-6-4-5-12(16)15(11)13/h4-6,10H,7-9,17H2,1-3H3
InChIKeyWCBZVOQBDSVCOQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.97
Rot. Bonds6

About N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine

N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 62429835) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID62429835
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC NameN-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1c(CN)sc2cccc(F)c12
InChIInChI=1S/C15H21FN2OS/c1-10(9-19-3)18(2)8-11-14(7-17)20-13-6-4-5-12(16)15(11)13/h4-6,10H,7-9,17H2,1-3H3
InChIKeyWCBZVOQBDSVCOQ-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine (CID 62429835) is N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)Cc1c(CN)sc2cccc(F)c12.
What is the InChIKey of N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is WCBZVOQBDSVCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-10(9-19-3)18(2)8-11-14(7-17)20-13-6-4-5-12(16)15(11)13/h4-6,10H,7-9,17H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 296.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 62429835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).