N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H18F3NS — CID 43434623

IUPACN-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H18F3NS/c1-9-2-7-12(18-9)8-17-11-5-3-10(4-6-11)13(14,15)16/h2,7,10-11,17H,3-6,8H2,1H3
InChIKeyKVFGRLNXBSFHDT-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.27
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434623) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434623
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H18F3NS/c1-9-2-7-12(18-9)8-17-11-5-3-10(4-6-11)13(14,15)16/h2,7,10-11,17H,3-6,8H2,1H3
InChIKeyKVFGRLNXBSFHDT-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43434623) is N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1ccc(CNC2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KVFGRLNXBSFHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-9-2-7-12(18-9)8-17-11-5-3-10(4-6-11)13(14,15)16/h2,7,10-11,17H,3-6,8H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).