N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine

C15H21NS — CID 61281130

IUPACN-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine
SMILESCCNC(C)c1sc2cc(C)c(C)cc2c1C
InChIInChI=1S/C15H21NS/c1-6-16-12(5)15-11(4)13-7-9(2)10(3)8-14(13)17-15/h7-8,12,16H,6H2,1-5H3
InChIKeyAMUPQIPFCZAUSI-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.50
Rot. Bonds3

About N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine

N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine (PubChem CID 61281130) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine
PubChem CID61281130
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine
SMILESCCNC(C)c1sc2cc(C)c(C)cc2c1C
InChIInChI=1S/C15H21NS/c1-6-16-12(5)15-11(4)13-7-9(2)10(3)8-14(13)17-15/h7-8,12,16H,6H2,1-5H3
InChIKeyAMUPQIPFCZAUSI-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine with MolForge

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Related Compounds

N-[1-(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)ethyl]propan-1-amine
CID 115479896
N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378175
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
4-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]pentan-2-ol
CID 104578742
N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide
CID 106334491
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
1-(3-methyl-1-benzothiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411946
1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
CID 102972133
3-methyl-4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 66091326
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43765466
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine (CID 61281130) is N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine is CCNC(C)c1sc2cc(C)c(C)cc2c1C.
What is the InChIKey of N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine?
The InChIKey is AMUPQIPFCZAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-6-16-12(5)15-11(4)13-7-9(2)10(3)8-14(13)17-15/h7-8,12,16H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine?
N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine has a molecular weight of 247.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 61281130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).