N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline

C14H14F3NO2 — CID 115743532

IUPACN-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
SMILESCc1ccoc1CNc1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H14F3NO2/c1-10-6-7-19-13(10)8-18-11-4-2-3-5-12(11)20-9-14(15,16)17/h2-7,18H,8-9H2,1H3
InChIKeyDKWVDFSQXFEULX-UHFFFAOYSA-N
MW285.27 g/mol
LogP4.14
Rot. Bonds5

About N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline

N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 115743532) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID115743532
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
SMILESCc1ccoc1CNc1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H14F3NO2/c1-10-6-7-19-13(10)8-18-11-4-2-3-5-12(11)20-9-14(15,16)17/h2-7,18H,8-9H2,1H3
InChIKeyDKWVDFSQXFEULX-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 115743509
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63654995
N-[(3-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 43689179
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 126814185
N-[(1-methylimidazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 62357263
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104879408
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol
CID 81400610
N-[(3-methylfuran-2-yl)methyl]quinolin-8-amine
CID 113268147
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 46535021

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline (CID 115743532) is N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline is Cc1ccoc1CNc1ccccc1OCC(F)(F)F.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is DKWVDFSQXFEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-10-6-7-19-13(10)8-18-11-4-2-3-5-12(11)20-9-14(15,16)17/h2-7,18H,8-9H2,1H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 285.27 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 115743532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).