(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine

C17H16FNS — CID 81104853

IUPAC(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc3ccc(F)cc3s2)cc1
InChIInChI=1S/C17H16FNS/c1-2-11-3-5-12(6-4-11)17(19)16-9-13-7-8-14(18)10-15(13)20-16/h3-10,17H,2,19H2,1H3
InChIKeyKWSBPDIOMUOMLJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.65
Rot. Bonds3

About (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine

(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine (PubChem CID 81104853) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
PubChem CID81104853
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc3ccc(F)cc3s2)cc1
InChIInChI=1S/C17H16FNS/c1-2-11-3-5-12(6-4-11)17(19)16-9-13-7-8-14(18)10-15(13)20-16/h3-10,17H,2,19H2,1H3
InChIKeyKWSBPDIOMUOMLJ-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[chloro-(4-ethylphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104121
(5-fluoro-1-benzothiophen-2-yl)-(4-propylphenyl)methanamine
CID 105144310
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
CID 105083659
(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
CID 105141971

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine (CID 81104853) is (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine is CCc1ccc(C(N)c2cc3ccc(F)cc3s2)cc1.
What is the InChIKey of (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
The InChIKey is KWSBPDIOMUOMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-2-11-3-5-12(6-4-11)17(19)16-9-13-7-8-14(18)10-15(13)20-16/h3-10,17H,2,19H2,1H3.
What are the key properties of (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 81104853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).