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

C13H17BrF3NS — CID 43788030

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1sccc1Br
InChIInChI=1S/C13H17BrF3NS/c1-8(12-11(14)6-7-19-12)18-10-4-2-9(3-5-10)13(15,16)17/h6-10,18H,2-5H2,1H3
InChIKeyZFTDHQAXPSORJZ-UHFFFAOYSA-N
MW356.25 g/mol
LogP5.28
Rot. Bonds3

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

N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43788030) has the molecular formula C13H17BrF3NS and a molecular weight of 356.25 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43788030
Molecular FormulaC13H17BrF3NS
Molecular Weight356.25 g/mol
Exact Mass355.02
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1sccc1Br
InChIInChI=1S/C13H17BrF3NS/c1-8(12-11(14)6-7-19-12)18-10-4-2-9(3-5-10)13(15,16)17/h6-10,18H,2-5H2,1H3
InChIKeyZFTDHQAXPSORJZ-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.25
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730386
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173018
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43788030) is N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCC(C(F)(F)F)CC1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZFTDHQAXPSORJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3NS/c1-8(12-11(14)6-7-19-12)18-10-4-2-9(3-5-10)13(15,16)17/h6-10,18H,2-5H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 356.25 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43788030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).