N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C12H11F3N2O — CID 43399613

IUPACN-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1ccco1
InChIInChI=1S/C12H11F3N2O/c1-8(10-3-2-6-18-10)17-11-5-4-9(7-16-11)12(13,14)15/h2-8H,1H3,(H,16,17)
InChIKeyJGRMYAWYQKVHFZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.87
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43399613) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43399613
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1ccco1
InChIInChI=1S/C12H11F3N2O/c1-8(10-3-2-6-18-10)17-11-5-4-9(7-16-11)12(13,14)15/h2-8H,1H3,(H,16,17)
InChIKeyJGRMYAWYQKVHFZ-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 51969104
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60703918
N-[1-(furan-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 103932113
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43714604
N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 115691993
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60727078
N-(6-methylheptan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63539653
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
N-[(1R)-1-(furan-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9482111

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 43399613) is N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ccc(C(F)(F)F)cn1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JGRMYAWYQKVHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8(10-3-2-6-18-10)17-11-5-4-9(7-16-11)12(13,14)15/h2-8H,1H3,(H,16,17).
What are the key properties of N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 256.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43399613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).