N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C12H15BrF3NS — CID 43434416

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2cc(Br)cs2)C1
InChIInChI=1S/C12H15BrF3NS/c13-9-5-11(18-7-9)6-17-10-3-1-2-8(4-10)12(14,15)16/h5,7-8,10,17H,1-4,6H2
InChIKeyHSVUJXRRYMPXRC-UHFFFAOYSA-N
MW342.22 g/mol
LogP4.72
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434416) has the molecular formula C12H15BrF3NS and a molecular weight of 342.22 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434416
Molecular FormulaC12H15BrF3NS
Molecular Weight342.22 g/mol
Exact Mass341.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2cc(Br)cs2)C1
InChIInChI=1S/C12H15BrF3NS/c13-9-5-11(18-7-9)6-17-10-3-1-2-8(4-10)12(14,15)16/h5,7-8,10,17H,1-4,6H2
InChIKeyHSVUJXRRYMPXRC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)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-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 43434416) is N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCc2cc(Br)cs2)C1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HSVUJXRRYMPXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NS/c13-9-5-11(18-7-9)6-17-10-3-1-2-8(4-10)12(14,15)16/h5,7-8,10,17H,1-4,6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 342.22 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).