N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine

C14H14F3NO — CID 104789859

IUPACN-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1ccoc1C
InChIInChI=1S/C14H14F3NO/c1-9-10(7-8-19-9)13(18-2)11-5-3-4-6-12(11)14(15,16)17/h3-8,13,18H,1-2H3
InChIKeyWIMCRFCIODSYBH-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.92
Rot. Bonds3

About N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 104789859) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID104789859
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1ccoc1C
InChIInChI=1S/C14H14F3NO/c1-9-10(7-8-19-9)13(18-2)11-5-3-4-6-12(11)14(15,16)17/h3-8,13,18H,1-2H3
InChIKeyWIMCRFCIODSYBH-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
1-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43484074
1-(5-chloro-2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 114886168
N-methyl-1-(2-methylfuran-3-yl)-1-thiophen-2-ylmethanamine
CID 43483393
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
N-methyl-1-(6-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 63555777
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 106691982

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 104789859) is N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccccc1C(F)(F)F)c1ccoc1C.
What is the InChIKey of N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WIMCRFCIODSYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-9-10(7-8-19-9)13(18-2)11-5-3-4-6-12(11)14(15,16)17/h3-8,13,18H,1-2H3.
What are the key properties of N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 104789859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).