N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine

C18H24FNS — CID 105138906

IUPACN-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H24FNS/c1-2-9-20-16(10-13-5-3-4-6-13)18-12-14-11-15(19)7-8-17(14)21-18/h7-8,11-13,16,20H,2-6,9-10H2,1H3
InChIKeyOHXGGNHGLFSWKU-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.66
Rot. Bonds6

About N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105138906) has the molecular formula C18H24FNS and a molecular weight of 305.46 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine
PubChem CID105138906
Molecular FormulaC18H24FNS
Molecular Weight305.46 g/mol
Exact Mass305.16
IUPAC NameN-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H24FNS/c1-2-9-20-16(10-13-5-3-4-6-13)18-12-14-11-15(19)7-8-17(14)21-18/h7-8,11-13,16,20H,2-6,9-10H2,1H3
InChIKeyOHXGGNHGLFSWKU-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.66
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
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107893741
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105309678
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
CID 114457743
[1-(1-benzothiophen-2-yl)-2-cyclopentylethyl]hydrazine
CID 105299057
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 104992759

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine (CID 105138906) is N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is OHXGGNHGLFSWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNS/c1-2-9-20-16(10-13-5-3-4-6-13)18-12-14-11-15(19)7-8-17(14)21-18/h7-8,11-13,16,20H,2-6,9-10H2,1H3.
What are the key properties of N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105138906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).