N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine

C17H24N2OS — CID 103539725

IUPACN-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sc2ccccc2c1CN1CCC(OC)C1
InChIInChI=1S/C17H24N2OS/c1-3-18-10-17-15(12-19-9-8-13(11-19)20-2)14-6-4-5-7-16(14)21-17/h4-7,13,18H,3,8-12H2,1-2H3
InChIKeyLWMYPNQHHNVDKL-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.23
Rot. Bonds6

About N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine

N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine (PubChem CID 103539725) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine
PubChem CID103539725
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sc2ccccc2c1CN1CCC(OC)C1
InChIInChI=1S/C17H24N2OS/c1-3-18-10-17-15(12-19-9-8-13(11-19)20-2)14-6-4-5-7-16(14)21-17/h4-7,13,18H,3,8-12H2,1-2H3
InChIKeyLWMYPNQHHNVDKL-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine 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

N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62427654
3-[(4-methoxypiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 43373071
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 103540514
N-[[3-(pentoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 62450074
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine
CID 62448088
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62418648
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 103535116
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522
1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62434463
N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106777093
11-[(2-ethyl-1-benzothiophen-3-yl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 166590393

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine (CID 103539725) is N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine is CCNCc1sc2ccccc2c1CN1CCC(OC)C1.
What is the InChIKey of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine?
The InChIKey is LWMYPNQHHNVDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-18-10-17-15(12-19-9-8-13(11-19)20-2)14-6-4-5-7-16(14)21-17/h4-7,13,18H,3,8-12H2,1-2H3.
What are the key properties of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine?
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 103539725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).