N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H22F3NO2 — CID 62344922

IUPACN-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(OCC(F)(F)F)C2)o1
InChIInChI=1S/C15H22F3NO2/c1-2-12-6-7-14(21-12)9-19-11-4-3-5-13(8-11)20-10-15(16,17)18/h6-7,11,13,19H,2-5,8-10H2,1H3
InChIKeyVQPOGSJGSLITCB-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.82
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 62344922) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID62344922
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(OCC(F)(F)F)C2)o1
InChIInChI=1S/C15H22F3NO2/c1-2-12-6-7-14(21-12)9-19-11-4-3-5-13(8-11)20-10-15(16,17)18/h6-7,11,13,19H,2-5,8-10H2,1H3
InChIKeyVQPOGSJGSLITCB-UHFFFAOYSA-N
XLogP3.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435217
N-(pyrimidin-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62758792
N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 79419388
N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 63001892
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748994
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
N-ethyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79642881
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43791725
2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 62344922) is N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCc1ccc(CNC2CCCC(OCC(F)(F)F)C2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is VQPOGSJGSLITCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-2-12-6-7-14(21-12)9-19-11-4-3-5-13(8-11)20-10-15(16,17)18/h6-7,11,13,19H,2-5,8-10H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 62344922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).