N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline

C13H12F3NO — CID 66478739

IUPACN-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1ccco1
InChIInChI=1S/C13H12F3NO/c1-9-4-5-10(13(14,15)16)7-12(9)17-8-11-3-2-6-18-11/h2-7,17H,8H2,1H3
InChIKeyFDZXJBAPQZGUDQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP4.22
Rot. Bonds3

About N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline

N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66478739) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66478739
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1ccco1
InChIInChI=1S/C13H12F3NO/c1-9-4-5-10(13(14,15)16)7-12(9)17-8-11-3-2-6-18-11/h2-7,17H,8H2,1H3
InChIKeyFDZXJBAPQZGUDQ-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline (CID 66478739) is N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is FDZXJBAPQZGUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-9-4-5-10(13(14,15)16)7-12(9)17-8-11-3-2-6-18-11/h2-7,17H,8H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 255.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66478739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).