N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C15H22F3NS — CID 43730358

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(C(C)NC2CCC(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C15H22F3NS/c1-9-8-14(11(3)20-9)10(2)19-13-6-4-12(5-7-13)15(16,17)18/h8,10,12-13,19H,4-7H2,1-3H3
InChIKeyPTLOZOXICMVABF-UHFFFAOYSA-N
MW305.41 g/mol
LogP5.14
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730358) has the molecular formula C15H22F3NS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730358
Molecular FormulaC15H22F3NS
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(C(C)NC2CCC(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C15H22F3NS/c1-9-8-14(11(3)20-9)10(2)19-13-6-4-12(5-7-13)15(16,17)18/h8,10,12-13,19H,4-7H2,1-3H3
InChIKeyPTLOZOXICMVABF-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-oxothian-4-amine
CID 54981912
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628723
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584449
N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
CID 97160739
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 83228314
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43432492

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43730358) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1cc(C(C)NC2CCC(C(F)(F)F)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PTLOZOXICMVABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NS/c1-9-8-14(11(3)20-9)10(2)19-13-6-4-12(5-7-13)15(16,17)18/h8,10,12-13,19H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 305.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).