1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H18F3NS — CID 64756341

IUPAC1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CCc2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NS/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h1-2,9-10H,3-8,17H2
InChIKeyZRALLAMHCKNFPV-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.13
Rot. Bonds3

About 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756341) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756341
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CCc2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NS/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h1-2,9-10H,3-8,17H2
InChIKeyZRALLAMHCKNFPV-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
1-(3-thiophen-2-ylpropyl)cyclopropan-1-amine
CID 83906553
4-(2-thiophen-2-ylethyl)oxepan-4-amine
CID 65076896
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677499
1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755742
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 79072850
1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 79487873
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020002
1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 105101468

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756341) is 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(CCc2cccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZRALLAMHCKNFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h1-2,9-10H,3-8,17H2.
What are the key properties of 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).