1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C13H11ClF3NO — CID 106691982

IUPAC1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(Cl)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H11ClF3NO/c1-18-12(10-6-7-11(14)19-10)8-4-2-3-5-9(8)13(15,16)17/h2-7,12,18H,1H3
InChIKeyXKBQIFOPICQQTO-UHFFFAOYSA-N
MW289.68 g/mol
LogP4.26
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 106691982) has the molecular formula C13H11ClF3NO and a molecular weight of 289.68 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID106691982
Molecular FormulaC13H11ClF3NO
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(Cl)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H11ClF3NO/c1-18-12(10-6-7-11(14)19-10)8-4-2-3-5-9(8)13(15,16)17/h2-7,12,18H,1H3
InChIKeyXKBQIFOPICQQTO-UHFFFAOYSA-N
XLogP4.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
1-(5-chloro-2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 114886168
1-(5-chlorofuran-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 106692805
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
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
N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853933
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106691917
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 106691982) is 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(Cl)o1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XKBQIFOPICQQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO/c1-18-12(10-6-7-11(14)19-10)8-4-2-3-5-9(8)13(15,16)17/h2-7,12,18H,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 289.68 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106691982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).