3-(2-benzothiophen-1-yl)propan-1-amine

C11H13NS — CID 66663299

IUPAC3-(2-benzothiophen-1-yl)propan-1-amine
SMILESNCCCc1scc2ccccc12
InChIInChI=1S/C11H13NS/c12-7-3-6-11-10-5-2-1-4-9(10)8-13-11/h1-2,4-5,8H,3,6-7,12H2
InChIKeyPIVAYCBMIIHECV-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-benzothiophen-1-yl)propan-1-amine

3-(2-benzothiophen-1-yl)propan-1-amine (PubChem CID 66663299) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(2-benzothiophen-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-benzothiophen-1-yl)propan-1-amine
PubChem CID66663299
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name3-(2-benzothiophen-1-yl)propan-1-amine
SMILESNCCCc1scc2ccccc12
InChIInChI=1S/C11H13NS/c12-7-3-6-11-10-5-2-1-4-9(10)8-13-11/h1-2,4-5,8H,3,6-7,12H2
InChIKeyPIVAYCBMIIHECV-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-benzothiophen-1-yl)propan-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-Benzothiophen-2-ylmethylamine
CID 237074
Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
Benzo[b]thiophene-3-ethanamine
CID 26743
Benzo(b)thiophene-3-ethylamine, hydrochloride
CID 209554
2-(1-Benzothiophen-2-yl)ethan-1-amine
CID 12666893
2-(2-Phenyl-1-benzothiophen-3-yl)ethanamine
CID 12412185
Benzo(c)thiophene
CID 136081
Benzo(b)thiophene-3-ethylamine, N-methyl-
CID 40599
Benzo(b)thiophene-3-ethylamine, 5-methyl-, hydrochloride
CID 210010
2-(4,5,6,7-Tetrahydrobenzo[b]thiophen-3-yl)ethanamine
CID 6624839
Benzo(b)thiophene-3-ethylamine, N,N-dimethyl-, hydrochloride
CID 29181
Benzo(b)thiophene-3-ethylamine, N-methyl-, hydrochloride
CID 211994

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzothiophen-1-yl)propan-1-amine?
The IUPAC name of 3-(2-benzothiophen-1-yl)propan-1-amine (CID 66663299) is 3-(2-benzothiophen-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-benzothiophen-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-benzothiophen-1-yl)propan-1-amine is NCCCc1scc2ccccc12.
What is the InChIKey of 3-(2-benzothiophen-1-yl)propan-1-amine?
The InChIKey is PIVAYCBMIIHECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c12-7-3-6-11-10-5-2-1-4-9(10)8-13-11/h1-2,4-5,8H,3,6-7,12H2.
What are the key properties of 3-(2-benzothiophen-1-yl)propan-1-amine?
3-(2-benzothiophen-1-yl)propan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzothiophen-1-yl)propan-1-amine is sourced from PubChem (CID 66663299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).