[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine

C14H14F3NO2 — CID 62441296

IUPAC[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
SMILESCc1oc(COc2ccc(C(F)(F)F)cc2)cc1CN
InChIInChI=1S/C14H14F3NO2/c1-9-10(7-18)6-13(20-9)8-19-12-4-2-11(3-5-12)14(15,16)17/h2-6H,7-8,18H2,1H3
InChIKeyZOHIFBYECJOSFV-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.64
Rot. Bonds4

About [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine

[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine (PubChem CID 62441296) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
PubChem CID62441296
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
SMILESCc1oc(COc2ccc(C(F)(F)F)cc2)cc1CN
InChIInChI=1S/C14H14F3NO2/c1-9-10(7-18)6-13(20-9)8-19-12-4-2-11(3-5-12)14(15,16)17/h2-6H,7-8,18H2,1H3
InChIKeyZOHIFBYECJOSFV-UHFFFAOYSA-N
XLogP3.64
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62486073
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
[2-methyl-5-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107315020
2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine
CID 117172336
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
[2-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-3-yl]methanamine
CID 62452165
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62441293
[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62460326
5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole
CID 117187958
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 102723774

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
The IUPAC name of [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine (CID 62441296) is [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine is Cc1oc(COc2ccc(C(F)(F)F)cc2)cc1CN.
What is the InChIKey of [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
The InChIKey is ZOHIFBYECJOSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-9-10(7-18)6-13(20-9)8-19-12-4-2-11(3-5-12)14(15,16)17/h2-6H,7-8,18H2,1H3.
What are the key properties of [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine has a molecular weight of 285.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62441296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).