2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C14H12Cl3NS — CID 82686841

IUPAC2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESClc1cc(Cl)cc(NC2CCCc3sc(Cl)cc32)c1
InChIInChI=1S/C14H12Cl3NS/c15-8-4-9(16)6-10(5-8)18-12-2-1-3-13-11(12)7-14(17)19-13/h4-7,12,18H,1-3H2
InChIKeyYCXHEISUBXTBBG-UHFFFAOYSA-N
MW332.68 g/mol
LogP6.20
Rot. Bonds2

About 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82686841) has the molecular formula C14H12Cl3NS and a molecular weight of 332.68 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82686841
Molecular FormulaC14H12Cl3NS
Molecular Weight332.68 g/mol
Exact Mass330.98
IUPAC Name2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESClc1cc(Cl)cc(NC2CCCc3sc(Cl)cc32)c1
InChIInChI=1S/C14H12Cl3NS/c15-8-4-9(16)6-10(5-8)18-12-2-1-3-13-11(12)7-14(17)19-13/h4-7,12,18H,1-3H2
InChIKeyYCXHEISUBXTBBG-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.68
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine 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

2-chloro-N-(3-chloro-5-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107363949
2-chloro-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687709
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzonitrile
CID 82686736
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
CID 82687102
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-methylphenol
CID 82695773
2-chloro-N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686147
2-chloro-N-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686856
2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686045
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzonitrile
CID 82687712
2-chloro-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686284
2-chloro-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686846
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine
CID 82690731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82686841) is 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Clc1cc(Cl)cc(NC2CCCc3sc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is YCXHEISUBXTBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NS/c15-8-4-9(16)6-10(5-8)18-12-2-1-3-13-11(12)7-14(17)19-13/h4-7,12,18H,1-3H2.
What are the key properties of 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 332.68 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82686841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).