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

C13H12F3NO2 — CID 115743509

IUPACN-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline
SMILESCc1ccoc1CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H12F3NO2/c1-9-6-7-18-12(9)8-17-10-4-2-3-5-11(10)19-13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyABWQPGKXKWFUDE-UHFFFAOYSA-N
MW271.24 g/mol
LogP4.10
Rot. Bonds4

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

N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline (PubChem CID 115743509) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline
PubChem CID115743509
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline
SMILESCc1ccoc1CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H12F3NO2/c1-9-6-7-18-12(9)8-17-10-4-2-3-5-11(10)19-13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyABWQPGKXKWFUDE-UHFFFAOYSA-N
XLogP4.10
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 115743532
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethoxy)aniline
CID 54868778
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 104799403
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
CID 62757923
5-[[2-(trifluoromethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63316722

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline (CID 115743509) is N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline is Cc1ccoc1CNc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline?
The InChIKey is ABWQPGKXKWFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-9-6-7-18-12(9)8-17-10-4-2-3-5-11(10)19-13(14,15)16/h2-7,17H,8H2,1H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline?
N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline has a molecular weight of 271.24 g/mol, XLogP of 4.10, 4 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-(trifluoromethoxy)aniline is sourced from PubChem (CID 115743509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).