N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline

C17H19NS — CID 79315891

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline
SMILESCc1cccc(N(C)CC2CSc3ccccc32)c1
InChIInChI=1S/C17H19NS/c1-13-6-5-7-15(10-13)18(2)11-14-12-19-17-9-4-3-8-16(14)17/h3-10,14H,11-12H2,1-2H3
InChIKeyWFUHEDRACZSJGW-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.32
Rot. Bonds3

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

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline (PubChem CID 79315891) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline
PubChem CID79315891
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline
SMILESCc1cccc(N(C)CC2CSc3ccccc32)c1
InChIInChI=1S/C17H19NS/c1-13-6-5-7-15(10-13)18(2)11-14-12-19-17-9-4-3-8-16(14)17/h3-10,14H,11-12H2,1-2H3
InChIKeyWFUHEDRACZSJGW-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-N-methylbenzene-1,2-diamine
CID 107466174
2-[(N,3-dimethylanilino)methyl]cyclopentan-1-ol
CID 62610095
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
CID 79320051
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine
CID 16639714
1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416309
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
CID 79318520
2-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 79220802
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
ethyl 3-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]propanoate
CID 79220753

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline (CID 79315891) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline is Cc1cccc(N(C)CC2CSc3ccccc32)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline?
The InChIKey is WFUHEDRACZSJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-13-6-5-7-15(10-13)18(2)11-14-12-19-17-9-4-3-8-16(14)17/h3-10,14H,11-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline has a molecular weight of 269.41 g/mol, XLogP of 4.32, 3 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,3-dimethylaniline is sourced from PubChem (CID 79315891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).