2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C15H13ClF3NS — CID 81246651

IUPAC2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1ccc(C(F)(F)F)cc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C15H13ClF3NS/c1-8-2-3-9(15(17,18)19)6-12(8)20-11-4-5-13-10(11)7-14(16)21-13/h2-3,6-7,11,20H,4-5H2,1H3
InChIKeyMKEPSWGNAKPUKS-UHFFFAOYSA-N
MW331.79 g/mol
LogP5.83
Rot. Bonds2

About 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81246651) has the molecular formula C15H13ClF3NS and a molecular weight of 331.79 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81246651
Molecular FormulaC15H13ClF3NS
Molecular Weight331.79 g/mol
Exact Mass331.04
IUPAC Name2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1ccc(C(F)(F)F)cc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C15H13ClF3NS/c1-8-2-3-9(15(17,18)19)6-12(8)20-11-4-5-13-10(11)7-14(16)21-13/h2-3,6-7,11,20H,4-5H2,1H3
InChIKeyMKEPSWGNAKPUKS-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.79
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-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

3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-4-methylbenzoic acid
CID 81251511
N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252769
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine
CID 81233746
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
N-(3-bromo-2-methylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 107629950
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 104667860
2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252050
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
2-chloro-N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686147
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251839
2-chloro-N-(4-methyl-2-nitrophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81234540
[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol
CID 81252902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81246651) is 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Cc1ccc(C(F)(F)F)cc1NC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is MKEPSWGNAKPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NS/c1-8-2-3-9(15(17,18)19)6-12(8)20-11-4-5-13-10(11)7-14(16)21-13/h2-3,6-7,11,20H,4-5H2,1H3.
What are the key properties of 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 331.79 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81246651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).