5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine

C15H16FNS — CID 177304838

IUPAC5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine
SMILESCNC1(c2ccccc2F)CCc2sccc2C1
InChIInChI=1S/C15H16FNS/c1-17-15(12-4-2-3-5-13(12)16)8-6-14-11(10-15)7-9-18-14/h2-5,7,9,17H,6,8,10H2,1H3
InChIKeyPAEBHOGCIKPGOR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.49
Rot. Bonds2

About 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine

5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine (PubChem CID 177304838) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine
PubChem CID177304838
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine
SMILESCNC1(c2ccccc2F)CCc2sccc2C1
InChIInChI=1S/C15H16FNS/c1-17-15(12-4-2-3-5-13(12)16)8-6-14-11(10-15)7-9-18-14/h2-5,7,9,17H,6,8,10H2,1H3
InChIKeyPAEBHOGCIKPGOR-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine
CID 15657775
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
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-methyl-amine
CID 398361
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-propyl-amine
CID 10038968
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-(3-methyl-but-2-enyl)-amine
CID 10266775
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-pentyl-amine
CID 10357514
N-benzyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 73357062

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine (CID 177304838) is 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine is CNC1(c2ccccc2F)CCc2sccc2C1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The InChIKey is PAEBHOGCIKPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-17-15(12-4-2-3-5-13(12)16)8-6-14-11(10-15)7-9-18-14/h2-5,7,9,17H,6,8,10H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine has a molecular weight of 261.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-6,7-dihydro-4H-1-benzothiophen-5-amine is sourced from PubChem (CID 177304838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).