1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

C16H18FNS — CID 105093106

IUPAC1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCCc2sccc21
InChIInChI=1S/C16H18FNS/c1-18-16(11-4-2-5-12(17)10-11)14-6-3-7-15-13(14)8-9-19-15/h2,4-5,8-10,14,16,18H,3,6-7H2,1H3
InChIKeyCMTNLMNONUCJIS-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (PubChem CID 105093106) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
PubChem CID105093106
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCCc2sccc21
InChIInChI=1S/C16H18FNS/c1-18-16(11-4-2-5-12(17)10-11)14-6-3-7-15-13(14)8-9-19-15/h2,4-5,8-10,14,16,18H,3,6-7H2,1H3
InChIKeyCMTNLMNONUCJIS-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
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
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (CID 105093106) is 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is CNC(c1cccc(F)c1)C1CCCc2sccc21.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is CMTNLMNONUCJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-18-16(11-4-2-5-12(17)10-11)14-6-3-7-15-13(14)8-9-19-15/h2,4-5,8-10,14,16,18H,3,6-7H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 105093106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).