N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline

C14H14F3NO2 — CID 62345950

IUPACN-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline
SMILESCCc1ccc(CNc2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C14H14F3NO2/c1-2-11-6-7-13(19-11)9-18-10-4-3-5-12(8-10)20-14(15,16)17/h3-8,18H,2,9H2,1H3
InChIKeyWTLRERYEPJFQER-UHFFFAOYSA-N
MW285.26 g/mol
LogP4.35
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline

N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline (PubChem CID 62345950) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline
PubChem CID62345950
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline
SMILESCCc1ccc(CNc2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C14H14F3NO2/c1-2-11-6-7-13(19-11)9-18-10-4-3-5-12(8-10)20-14(15,16)17/h3-8,18H,2,9H2,1H3
InChIKeyWTLRERYEPJFQER-UHFFFAOYSA-N
XLogP4.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 43766190
2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline
CID 70246305
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethoxy)aniline
CID 66398939
5-[[3-(trifluoromethoxy)anilino]methyl]thiophene-2-carboxylic acid
CID 103235008
N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373
[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578774
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(trifluoromethoxy)aniline
CID 168579556

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline (CID 62345950) is N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline is CCc1ccc(CNc2cccc(OC(F)(F)F)c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline?
The InChIKey is WTLRERYEPJFQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-2-11-6-7-13(19-11)9-18-10-4-3-5-12(8-10)20-14(15,16)17/h3-8,18H,2,9H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline?
N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline has a molecular weight of 285.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 62345950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).