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

C16H20FNS — CID 115847440

IUPAC2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H20FNS/c1-18-14(8-11-4-2-3-5-11)16-9-12-6-7-13(17)10-15(12)19-16/h6-7,9-11,14,18H,2-5,8H2,1H3
InChIKeyKWXBEYSJKGLQOJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.88
Rot. Bonds4

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

2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 115847440) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID115847440
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H20FNS/c1-18-14(8-11-4-2-3-5-11)16-9-12-6-7-13(17)10-15(12)19-16/h6-7,9-11,14,18H,2-5,8H2,1H3
InChIKeyKWXBEYSJKGLQOJ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
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
2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115863602
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-cyclopentylethyl]hydrazine
CID 105299057
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-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine (CID 115847440) is 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine is CNC(CC1CCCC1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is KWXBEYSJKGLQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-18-14(8-11-4-2-3-5-11)16-9-12-6-7-13(17)10-15(12)19-16/h6-7,9-11,14,18H,2-5,8H2,1H3.
What are the key properties of 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115847440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).