N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C13H13F3N2O — CID 66330241

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Cc1ccco1)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H13F3N2O/c1-9(7-11-3-2-6-19-11)18-12-8-10(4-5-17-12)13(14,15)16/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyKJRRDMHTTUWLRZ-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.74
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine

N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330241) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330241
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Cc1ccco1)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H13F3N2O/c1-9(7-11-3-2-6-19-11)18-12-8-10(4-5-17-12)13(14,15)16/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyKJRRDMHTTUWLRZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
CID 116698821
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
N-[1-(furan-2-yl)propan-2-yl]pyrido[2,3-b]pyrazin-6-amine
CID 78988285
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 66330241) is N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(Cc1ccco1)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KJRRDMHTTUWLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9(7-11-3-2-6-19-11)18-12-8-10(4-5-17-12)13(14,15)16/h2-6,8-9H,7H2,1H3,(H,17,18).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 270.25 g/mol, XLogP of 3.74, 4 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)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).