N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine

C16H18FN3S — CID 81105811

IUPACN-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccc(F)cc2s1)c1nccn1CC
InChIInChI=1S/C16H18FN3S/c1-3-18-15(16-19-7-8-20(16)4-2)14-9-11-5-6-12(17)10-13(11)21-14/h5-10,15,18H,3-4H2,1-2H3
InChIKeyRNUINEVXOVPVCA-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.96
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine

N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine (PubChem CID 81105811) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
PubChem CID81105811
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC NameN-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccc(F)cc2s1)c1nccn1CC
InChIInChI=1S/C16H18FN3S/c1-3-18-15(16-19-7-8-20(16)4-2)14-9-11-5-6-12(17)10-13(11)21-14/h5-10,15,18H,3-4H2,1-2H3
InChIKeyRNUINEVXOVPVCA-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 81114889
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
N-[(6-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858572
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79996590
N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199087
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851962
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55240315
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64768372

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine (CID 81105811) is N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine is CCNC(c1cc2ccc(F)cc2s1)c1nccn1CC.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The InChIKey is RNUINEVXOVPVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-3-18-15(16-19-7-8-20(16)4-2)14-9-11-5-6-12(17)10-13(11)21-14/h5-10,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine has a molecular weight of 303.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81105811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).