trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H20F3NO2 — CID 129429823

IUPACtrans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1
InChIInChI=1S/C14H20F3NO2/c1-19-9-12(13-6-3-7-20-13)18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyDCLWKIWDAOWICU-UTUOFQBUSA-N
MW291.31 g/mol
LogP3.68
Rot. Bonds5

About trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine

trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 129429823) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID129429823
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Nametrans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1
InChIInChI=1S/C14H20F3NO2/c1-19-9-12(13-6-3-7-20-13)18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyDCLWKIWDAOWICU-UTUOFQBUSA-N
XLogP3.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

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Related Compounds

cis-(1S,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429824
(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 129430023
(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 100643068
1-cyclopropyl-N-[1-(furan-2-yl)-2-methoxyethyl]propan-2-amine
CID 115726233
2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105122947
N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide
CID 99625244
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
CID 75509295
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 110054148
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054165

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 129429823) is trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine is COC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1.
What is the InChIKey of trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DCLWKIWDAOWICU-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-19-9-12(13-6-3-7-20-13)18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 129429823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).