2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine

C15H18FNS — CID 115863822

IUPAC2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H18FNS/c1-17-13(7-10-3-2-4-10)15-8-11-5-6-12(16)9-14(11)18-15/h5-6,8-10,13,17H,2-4,7H2,1H3
InChIKeyMJJFQBNIHSEZFA-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.49
Rot. Bonds4

About 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine

2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 115863822) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID115863822
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H18FNS/c1-17-13(7-10-3-2-4-10)15-8-11-5-6-12(16)9-14(11)18-15/h5-6,8-10,13,17H,2-4,7H2,1H3
InChIKeyMJJFQBNIHSEZFA-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115847440
2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115863602
N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 105138906
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81115596
[1-(6-fluoro-1-benzothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314280
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030725
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034716

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine (CID 115863822) is 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine is CNC(CC1CCC1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is MJJFQBNIHSEZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-17-13(7-10-3-2-4-10)15-8-11-5-6-12(16)9-14(11)18-15/h5-6,8-10,13,17H,2-4,7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115863822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).