1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine

C15H18FNS — CID 105153215

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H18FNS/c1-3-4-5-6-13(17-2)15-10-11-9-12(16)7-8-14(11)18-15/h3,7-10,13,17H,1,4-6H2,2H3
InChIKeyQWZIGJXFJDTBIL-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.66
Rot. Bonds6

About 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine

1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine (PubChem CID 105153215) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine
PubChem CID105153215
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H18FNS/c1-3-4-5-6-13(17-2)15-10-11-9-12(16)7-8-14(11)18-15/h3,7-10,13,17H,1,4-6H2,2H3
InChIKeyQWZIGJXFJDTBIL-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine 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

1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030193
2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465
1-(1-benzothiophen-2-yl)hex-5-en-1-ol
CID 115804316
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
CID 105288337

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine (CID 105153215) is 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine?
The InChIKey is QWZIGJXFJDTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-3-4-5-6-13(17-2)15-10-11-9-12(16)7-8-14(11)18-15/h3,7-10,13,17H,1,4-6H2,2H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine?
1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 105153215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).