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

C13H18F3NO — CID 43730440

IUPACN-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1ccco1
InChIInChI=1S/C13H18F3NO/c1-9(12-3-2-8-18-12)17-11-6-4-10(5-7-11)13(14,15)16/h2-3,8-11,17H,4-7H2,1H3
InChIKeyMGUQGEYWWQDCIJ-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.05
Rot. Bonds3

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

N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730440) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730440
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1ccco1
InChIInChI=1S/C13H18F3NO/c1-9(12-3-2-8-18-12)17-11-6-4-10(5-7-11)13(14,15)16/h2-3,8-11,17H,4-7H2,1H3
InChIKeyMGUQGEYWWQDCIJ-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
N-[(1R)-1-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 81403874
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
CID 103982613
4-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261936
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730386
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43730440) is N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCC(C(F)(F)F)CC1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MGUQGEYWWQDCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(12-3-2-8-18-12)17-11-6-4-10(5-7-11)13(14,15)16/h2-3,8-11,17H,4-7H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).