N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H17ClF3NOS — CID 79419388

IUPACN-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2cc(Cl)cs2)C1
InChIInChI=1S/C13H17ClF3NOS/c14-9-4-12(20-7-9)6-18-10-2-1-3-11(5-10)19-8-13(15,16)17/h4,7,10-11,18H,1-3,5-6,8H2
InChIKeyMUYLPXVVWFAOED-UHFFFAOYSA-N
MW327.80 g/mol
LogP4.38
Rot. Bonds5

About N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 79419388) has the molecular formula C13H17ClF3NOS and a molecular weight of 327.80 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID79419388
Molecular FormulaC13H17ClF3NOS
Molecular Weight327.80 g/mol
Exact Mass327.07
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2cc(Cl)cs2)C1
InChIInChI=1S/C13H17ClF3NOS/c14-9-4-12(20-7-9)6-18-10-2-1-3-11(5-10)19-8-13(15,16)17/h4,7,10-11,18H,1-3,5-6,8H2
InChIKeyMUYLPXVVWFAOED-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 63001892
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
N-(pyrimidin-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62758792
N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62344922
N-[(3-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435217
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748994
4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 79420437
N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
CID 79420660
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511
N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62951710
N'-tert-butyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]ethane-1,2-diamine
CID 107445272
[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 79419388) is N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCc2cc(Cl)cs2)C1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is MUYLPXVVWFAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NOS/c14-9-4-12(20-7-9)6-18-10-2-1-3-11(5-10)19-8-13(15,16)17/h4,7,10-11,18H,1-3,5-6,8H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 327.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 79419388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).