N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine

C17H16FNS — CID 11254654

IUPACN-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine
SMILESCc1cc2c(C)c(C)sc2cc1Nc1ccccc1F
InChIInChI=1S/C17H16FNS/c1-10-8-13-11(2)12(3)20-17(13)9-16(10)19-15-7-5-4-6-14(15)18/h4-9,19H,1-3H3
InChIKeyJWUAUQVFEMERNQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.71
Rot. Bonds2

About N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine

N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine (PubChem CID 11254654) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine
PubChem CID11254654
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC NameN-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine
SMILESCc1cc2c(C)c(C)sc2cc1Nc1ccccc1F
InChIInChI=1S/C17H16FNS/c1-10-8-13-11(2)12(3)20-17(13)9-16(10)19-15-7-5-4-6-14(15)18/h4-9,19H,1-3H3
InChIKeyJWUAUQVFEMERNQ-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine?
The IUPAC name of N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine (CID 11254654) is N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine?
The canonical SMILES for N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine is Cc1cc2c(C)c(C)sc2cc1Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine?
The InChIKey is JWUAUQVFEMERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-10-8-13-11(2)12(3)20-17(13)9-16(10)19-15-7-5-4-6-14(15)18/h4-9,19H,1-3H3.
What are the key properties of N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine?
N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine has a molecular weight of 285.39 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine is sourced from PubChem (CID 11254654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).