N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine

C18H22N2S — CID 105160573

IUPACN-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1Cc2ccccc2S1
InChIInChI=1S/C18H22N2S/c1-2-9-20-16(12-14-7-10-19-11-8-14)18-13-15-5-3-4-6-17(15)21-18/h3-8,10-11,16,18,20H,2,9,12-13H2,1H3
InChIKeyWMWPPUDAMAELTL-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.71
Rot. Bonds6

About N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 105160573) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID105160573
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1Cc2ccccc2S1
InChIInChI=1S/C18H22N2S/c1-2-9-20-16(12-14-7-10-19-11-8-14)18-13-15-5-3-4-6-17(15)21-18/h3-8,10-11,16,18,20H,2,9,12-13H2,1H3
InChIKeyWMWPPUDAMAELTL-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]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-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105317497
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169089
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105165036
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105138314
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
CID 105108065
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 105101921
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840468
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine (CID 105160573) is N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)C1Cc2ccccc2S1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is WMWPPUDAMAELTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-9-20-16(12-14-7-10-19-11-8-14)18-13-15-5-3-4-6-17(15)21-18/h3-8,10-11,16,18,20H,2,9,12-13H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 105160573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).