N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine

C18H22FNS — CID 105088087

IUPACN-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C1CCCc2sccc21
InChIInChI=1S/C18H22FNS/c1-2-11-20-18(13-6-8-14(19)9-7-13)16-4-3-5-17-15(16)10-12-21-17/h6-10,12,16,18,20H,2-5,11H2,1H3
InChIKeyQWRQVGZSTNKVQM-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.05
Rot. Bonds5

About N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine

N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine (PubChem CID 105088087) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine
PubChem CID105088087
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C1CCCc2sccc21
InChIInChI=1S/C18H22FNS/c1-2-11-20-18(13-6-8-14(19)9-7-13)16-4-3-5-17-15(16)10-12-21-17/h6-10,12,16,18,20H,2-5,11H2,1H3
InChIKeyQWRQVGZSTNKVQM-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine with MolForge

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylmethyl-amine
CID 10424083
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Ethan-1,2-diamine, N-[1-(2-thionaphthenyl)cyclohexyl]-N'-methyl-
CID 611997
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
3-Methyl-1,2,3,4-tetrahydro{1}benzothieno{3,2-c}pyridine
CID 193900
N-methyl-5,5a,6,9-tetrahydro-4H-benzo[e][1]benzothiol-9a-amine
CID 19106996
N-methyl-5,5a,6,7,8,9-hexahydro-4H-benzo[e][1]benzothiol-9a-amine
CID 19107024
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine (CID 105088087) is N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)C1CCCc2sccc21.
What is the InChIKey of N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine?
The InChIKey is QWRQVGZSTNKVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-2-11-20-18(13-6-8-14(19)9-7-13)16-4-3-5-17-15(16)10-12-21-17/h6-10,12,16,18,20H,2-5,11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine?
N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105088087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).