2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

C12H14ClF3N2S — CID 114489571

IUPAC2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESNCC(c1ccc(Cl)s1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H14ClF3N2S/c13-11-2-1-10(19-11)9(7-17)18-5-3-8(4-6-18)12(14,15)16/h1-3,9H,4-7,17H2
InChIKeyWXTWCXZLQKYRAL-UHFFFAOYSA-N
MW310.77 g/mol
LogP3.60
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (PubChem CID 114489571) has the molecular formula C12H14ClF3N2S and a molecular weight of 310.77 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
PubChem CID114489571
Molecular FormulaC12H14ClF3N2S
Molecular Weight310.77 g/mol
Exact Mass310.05
IUPAC Name2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESNCC(c1ccc(Cl)s1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H14ClF3N2S/c13-11-2-1-10(19-11)9(7-17)18-5-3-8(4-6-18)12(14,15)16/h1-3,9H,4-7,17H2
InChIKeyWXTWCXZLQKYRAL-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine 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

CID 75428499
CID 75428499
CID 2455012
CID 2455012
CID 58227986
CID 58227986
CID 134927136
CID 134927136
CID 3533876
CID 3533876
CID 3955434
CID 3955434
CID 5106708
CID 5106708
CID 28595983
CID 28595983
CID 28895425
CID 28895425
CID 28895428
CID 28895428
CID 28895734
CID 28895734
CID 28895738
CID 28895738

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (CID 114489571) is 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is NCC(c1ccc(Cl)s1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The InChIKey is WXTWCXZLQKYRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2S/c13-11-2-1-10(19-11)9(7-17)18-5-3-8(4-6-18)12(14,15)16/h1-3,9H,4-7,17H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine has a molecular weight of 310.77 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 114489571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).