N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H22F3NOS — CID 63992867

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1ccsc1C(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H22F3NOS/c1-10-6-7-21-14(10)11(2)19-12-4-3-5-13(8-12)20-9-15(16,17)18/h6-7,11-13,19H,3-5,8-9H2,1-2H3
InChIKeyMWXIREKQDLBVIT-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.60
Rot. Bonds5

About N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 63992867) has the molecular formula C15H22F3NOS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID63992867
Molecular FormulaC15H22F3NOS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1ccsc1C(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H22F3NOS/c1-10-6-7-21-14(10)11(2)19-12-4-3-5-13(8-12)20-9-15(16,17)18/h6-7,11-13,19H,3-5,8-9H2,1-2H3
InChIKeyMWXIREKQDLBVIT-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 63992867) is N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is Cc1ccsc1C(C)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is MWXIREKQDLBVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NOS/c1-10-6-7-21-14(10)11(2)19-12-4-3-5-13(8-12)20-9-15(16,17)18/h6-7,11-13,19H,3-5,8-9H2,1-2H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 321.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 63992867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).