furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C13H12F3NO — CID 102753944

IUPACfuran-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ccco1
InChIInChI=1S/C13H12F3NO/c1-8-7-9(13(14,15)16)4-5-10(8)12(17)11-3-2-6-18-11/h2-7,12H,17H2,1H3
InChIKeyKVHGLWBKTGQHRJ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.65
Rot. Bonds2

About furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102753944) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namefuran-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102753944
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Namefuran-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ccco1
InChIInChI=1S/C13H12F3NO/c1-8-7-9(13(14,15)16)4-5-10(8)12(17)11-3-2-6-18-11/h2-7,12H,17H2,1H3
InChIKeyKVHGLWBKTGQHRJ-UHFFFAOYSA-N
XLogP3.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758778
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758784
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758165
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
furan-2-yl-(2,4,5-trifluorophenyl)methanamine
CID 103301909
(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758356

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102753944) is furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)c1ccco1.
What is the InChIKey of furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KVHGLWBKTGQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-8-7-9(13(14,15)16)4-5-10(8)12(17)11-3-2-6-18-11/h2-7,12H,17H2,1H3.
What are the key properties of furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102753944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).