N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline

C15H11Cl2NS — CID 65468569

IUPACN-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
SMILESClc1cccc(Cl)c1NCc1csc2ccccc12
InChIInChI=1S/C15H11Cl2NS/c16-12-5-3-6-13(17)15(12)18-8-10-9-19-14-7-2-1-4-11(10)14/h1-7,9,18H,8H2
InChIKeyLMPWHJSOZKWQJY-UHFFFAOYSA-N
MW308.23 g/mol
LogP5.82
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline

N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline (PubChem CID 65468569) has the molecular formula C15H11Cl2NS and a molecular weight of 308.23 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
PubChem CID65468569
Molecular FormulaC15H11Cl2NS
Molecular Weight308.23 g/mol
Exact Mass307.00
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
SMILESClc1cccc(Cl)c1NCc1csc2ccccc12
InChIInChI=1S/C15H11Cl2NS/c16-12-5-3-6-13(17)15(12)18-8-10-9-19-14-7-2-1-4-11(10)14/h1-7,9,18H,8H2
InChIKeyLMPWHJSOZKWQJY-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.23
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-4-bromo-2-chloroaniline
CID 55197503
N-(1-benzothiophen-3-ylmethyl)-3-chloro-4-methylaniline
CID 63418536
N-(1-benzothiophen-3-ylmethyl)-4-(chloromethyl)aniline
CID 65026198
N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine
CID 62699234
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
N-(1-benzothiophen-3-ylmethyl)-3-ethynylaniline
CID 62699030
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719584
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline (CID 65468569) is N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline is Clc1cccc(Cl)c1NCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline?
The InChIKey is LMPWHJSOZKWQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NS/c16-12-5-3-6-13(17)15(12)18-8-10-9-19-14-7-2-1-4-11(10)14/h1-7,9,18H,8H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline?
N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline has a molecular weight of 308.23 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline is sourced from PubChem (CID 65468569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).