1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine

C14H19NS — CID 117339455

IUPAC1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine
SMILESCC1Cc2cc(C3(C(C)N)CC3)ccc2S1
InChIInChI=1S/C14H19NS/c1-9-7-11-8-12(3-4-13(11)16-9)14(5-6-14)10(2)15/h3-4,8-10H,5-7,15H2,1-2H3
InChIKeyJBUJYSIAPYXDHX-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.10
Rot. Bonds2

About 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine

1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine (PubChem CID 117339455) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine
PubChem CID117339455
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine
SMILESCC1Cc2cc(C3(C(C)N)CC3)ccc2S1
InChIInChI=1S/C14H19NS/c1-9-7-11-8-12(3-4-13(11)16-9)14(5-6-14)10(2)15/h3-4,8-10H,5-7,15H2,1-2H3
InChIKeyJBUJYSIAPYXDHX-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine (CID 117339455) is 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine is CC1Cc2cc(C3(C(C)N)CC3)ccc2S1.
What is the InChIKey of 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine?
The InChIKey is JBUJYSIAPYXDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-9-7-11-8-12(3-4-13(11)16-9)14(5-6-14)10(2)15/h3-4,8-10H,5-7,15H2,1-2H3.
What are the key properties of 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine?
1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine has a molecular weight of 233.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117339455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).