N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline

C17H19NS — CID 79212123

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline
SMILESCc1ccc(NCC2Cc3ccccc3S2)cc1C
InChIInChI=1S/C17H19NS/c1-12-7-8-15(9-13(12)2)18-11-16-10-14-5-3-4-6-17(14)19-16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyACTBTGBTLVGARH-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.43
Rot. Bonds3

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline (PubChem CID 79212123) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline
PubChem CID79212123
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline
SMILESCc1ccc(NCC2Cc3ccccc3S2)cc1C
InChIInChI=1S/C17H19NS/c1-12-7-8-15(9-13(12)2)18-11-16-10-14-5-3-4-6-17(14)19-16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyACTBTGBTLVGARH-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline 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-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-iodoaniline
CID 79213442
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxyaniline
CID 82867450
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-fluoro-4-methoxyaniline
CID 79213733
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114839465
3-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-fluoroaniline
CID 104777667
N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide
CID 79212993
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethoxyaniline
CID 79222550
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79222491
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
CID 79222390
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline
CID 79222167

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline (CID 79212123) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline is Cc1ccc(NCC2Cc3ccccc3S2)cc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline?
The InChIKey is ACTBTGBTLVGARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-12-7-8-15(9-13(12)2)18-11-16-10-14-5-3-4-6-17(14)19-16/h3-9,16,18H,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline has a molecular weight of 269.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline is sourced from PubChem (CID 79212123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).