N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine

C16H18FNS — CID 61208351

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1cc2c(s1)CCC2)c1cccc(F)c1
InChIInChI=1S/C16H18FNS/c1-11(12-4-2-6-14(17)8-12)18-10-15-9-13-5-3-7-16(13)19-15/h2,4,6,8-9,11,18H,3,5,7,10H2,1H3
InChIKeyAEVAJOIGNNUVEI-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.23
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 61208351) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
PubChem CID61208351
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1cc2c(s1)CCC2)c1cccc(F)c1
InChIInChI=1S/C16H18FNS/c1-11(12-4-2-6-14(17)8-12)18-10-15-9-13-5-3-7-16(13)19-15/h2,4,6,8-9,11,18H,3,5,7,10H2,1H3
InChIKeyAEVAJOIGNNUVEI-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61207226
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 61207957
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 63452368
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-nitrophenyl)ethanamine
CID 61206837
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63452712
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 63452623
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81368969

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine (CID 61208351) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine is CC(NCc1cc2c(s1)CCC2)c1cccc(F)c1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is AEVAJOIGNNUVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11(12-4-2-6-14(17)8-12)18-10-15-9-13-5-3-7-16(13)19-15/h2,4,6,8-9,11,18H,3,5,7,10H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 61208351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).