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

C11H14ClNS — CID 64661225

IUPAC5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC1Sc2ccc(Cl)cc2C1NC
InChIInChI=1S/C11H14ClNS/c1-3-9-11(13-2)8-6-7(12)4-5-10(8)14-9/h4-6,9,11,13H,3H2,1-2H3
InChIKeyVMNQTYQEJUZSFH-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.48
Rot. Bonds2

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

5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 64661225) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID64661225
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC1Sc2ccc(Cl)cc2C1NC
InChIInChI=1S/C11H14ClNS/c1-3-9-11(13-2)8-6-7(12)4-5-10(8)14-9/h4-6,9,11,13H,3H2,1-2H3
InChIKeyVMNQTYQEJUZSFH-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine (CID 64661225) is 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine is CCC1Sc2ccc(Cl)cc2C1NC.
What is the InChIKey of 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is VMNQTYQEJUZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-3-9-11(13-2)8-6-7(12)4-5-10(8)14-9/h4-6,9,11,13H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 227.76 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 64661225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).