N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline

C18H21NS — CID 79318520

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
SMILESCCN(CC1CSc2ccccc21)c1ccccc1C
InChIInChI=1S/C18H21NS/c1-3-19(17-10-6-4-8-14(17)2)12-15-13-20-18-11-7-5-9-16(15)18/h4-11,15H,3,12-13H2,1-2H3
InChIKeyYPUYPCMOIZSRMW-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.71
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline (PubChem CID 79318520) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
PubChem CID79318520
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
SMILESCCN(CC1CSc2ccccc21)c1ccccc1C
InChIInChI=1S/C18H21NS/c1-3-19(17-10-6-4-8-14(17)2)12-15-13-20-18-11-7-5-9-16(15)18/h4-11,15H,3,12-13H2,1-2H3
InChIKeyYPUYPCMOIZSRMW-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-fluoroaniline
CID 79315604
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methylethanamine
CID 79226851
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine
CID 79315742
N-(2-bromoethyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pentan-3-amine
CID 80691843
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide
CID 79315662
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716245
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]propanenitrile
CID 79220946
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine
CID 79315304
N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine
CID 79315230
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline
CID 79315891

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline (CID 79318520) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline is CCN(CC1CSc2ccccc21)c1ccccc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline?
The InChIKey is YPUYPCMOIZSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-3-19(17-10-6-4-8-14(17)2)12-15-13-20-18-11-7-5-9-16(15)18/h4-11,15H,3,12-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline has a molecular weight of 283.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline is sourced from PubChem (CID 79318520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).