1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine

C15H11Cl2NS — CID 61406696

IUPAC1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc2ccccc2s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2NS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15H,18H2
InChIKeyNKUYSSIJUBMNTB-UHFFFAOYSA-N
MW308.23 g/mol
LogP5.26
Rot. Bonds2

About 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine

1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine (PubChem CID 61406696) has the molecular formula C15H11Cl2NS and a molecular weight of 308.23 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
PubChem CID61406696
Molecular FormulaC15H11Cl2NS
Molecular Weight308.23 g/mol
Exact Mass307.00
IUPAC Name1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc2ccccc2s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2NS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15H,18H2
InChIKeyNKUYSSIJUBMNTB-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.23
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine 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

1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
[1-benzothiophen-2-yl-(2,5-dichlorophenyl)methyl]hydrazine
CID 105302006
1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 61406697
1-benzothiophen-2-yl-(3-bromo-5-chloro-2-methoxyphenyl)methanamine
CID 61407060
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
CID 80532944
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4-dichloroaniline
CID 114909583
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-1-benzothiophene
CID 107477430

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine (CID 61406696) is 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine is NC(c1cc2ccccc2s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine?
The InChIKey is NKUYSSIJUBMNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15H,18H2.
What are the key properties of 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine?
1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine has a molecular weight of 308.23 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 61406696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).