N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine

C18H22FNS — CID 63527239

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22FNS/c1-2-10-20-16(11-13-6-3-4-8-15(13)19)18-12-14-7-5-9-17(14)21-18/h3-4,6,8,12,16,20H,2,5,7,9-11H2,1H3
InChIKeyYXGBSPVCAVZONP-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.66
Rot. Bonds6

About N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63527239) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID63527239
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22FNS/c1-2-10-20-16(11-13-6-3-4-8-15(13)19)18-12-14-7-5-9-17(14)21-18/h3-4,6,8,12,16,20H,2,5,7,9-11H2,1H3
InChIKeyYXGBSPVCAVZONP-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
CID 115827907
2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377291
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxyethyl]propan-1-amine
CID 105008789
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 115834245
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 115863301
[2-(5-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 103053843
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009197

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine (CID 63527239) is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1F)c1cc2c(s1)CCC2.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is YXGBSPVCAVZONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-2-10-20-16(11-13-6-3-4-8-15(13)19)18-12-14-7-5-9-17(14)21-18/h3-4,6,8,12,16,20H,2,5,7,9-11H2,1H3.
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63527239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).