1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine

C12H14FNS — CID 114978526

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H14FNS/c1-7(2)12(14)11-5-8-3-4-9(13)6-10(8)15-11/h3-7,12H,14H2,1-2H3
InChIKeyDDASKCVEQMLWOB-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.70
Rot. Bonds2

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine

1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine (PubChem CID 114978526) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine
PubChem CID114978526
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H14FNS/c1-7(2)12(14)11-5-8-3-4-9(13)6-10(8)15-11/h3-7,12H,14H2,1-2H3
InChIKeyDDASKCVEQMLWOB-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine (CID 114978526) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine?
The InChIKey is DDASKCVEQMLWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-7(2)12(14)11-5-8-3-4-9(13)6-10(8)15-11/h3-7,12H,14H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114978526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).