5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

C12H16ClNS — CID 83048835

IUPAC5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2ccc(Cl)cc2C1NC
InChIInChI=1S/C12H16ClNS/c1-3-4-11-12(14-2)9-7-8(13)5-6-10(9)15-11/h5-7,11-12,14H,3-4H2,1-2H3
InChIKeyDADXGMPABOZXIO-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 83048835) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID83048835
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2ccc(Cl)cc2C1NC
InChIInChI=1S/C12H16ClNS/c1-3-4-11-12(14-2)9-7-8(13)5-6-10(9)15-11/h5-7,11-12,14H,3-4H2,1-2H3
InChIKeyDADXGMPABOZXIO-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 83048835) is 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCC1Sc2ccc(Cl)cc2C1NC.
What is the InChIKey of 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is DADXGMPABOZXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-3-4-11-12(14-2)9-7-8(13)5-6-10(9)15-11/h5-7,11-12,14H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 241.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 83048835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).