N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine

C17H21NS2 — CID 102840468

IUPACN-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C1Cc2ccccc2S1
InChIInChI=1S/C17H21NS2/c1-3-9-18-17(14-8-10-19-12(14)2)16-11-13-6-4-5-7-15(13)20-16/h4-8,10,16-18H,3,9,11H2,1-2H3
InChIKeyBMQLJIKWCAHZGD-UHFFFAOYSA-N
MW303.50 g/mol
LogP4.81
Rot. Bonds5

About N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102840468) has the molecular formula C17H21NS2 and a molecular weight of 303.50 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102840468
Molecular FormulaC17H21NS2
Molecular Weight303.50 g/mol
Exact Mass303.11
IUPAC NameN-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C1Cc2ccccc2S1
InChIInChI=1S/C17H21NS2/c1-3-9-18-17(14-8-10-19-12(14)2)16-11-13-6-4-5-7-15(13)20-16/h4-8,10,16-18H,3,9,11H2,1-2H3
InChIKeyBMQLJIKWCAHZGD-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine
CID 105090537
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-methylphenyl)methyl]ethanamine
CID 105094696
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 105092704
N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105179214
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454
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
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 105160573
N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840928

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102840468) is N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccsc1C)C1Cc2ccccc2S1.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is BMQLJIKWCAHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS2/c1-3-9-18-17(14-8-10-19-12(14)2)16-11-13-6-4-5-7-15(13)20-16/h4-8,10,16-18H,3,9,11H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 303.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102840468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).