N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine

C13H14F3NO — CID 117195061

IUPACN-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine
SMILESCNC(C)Cc1cc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C13H14F3NO/c1-8(17-2)5-11-7-9-6-10(13(14,15)16)3-4-12(9)18-11/h3-4,6-8,17H,5H2,1-2H3
InChIKeyRVXWAFVGYPSEAP-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.60
Rot. Bonds3

About N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine

N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine (PubChem CID 117195061) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine
PubChem CID117195061
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine
SMILESCNC(C)Cc1cc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C13H14F3NO/c1-8(17-2)5-11-7-9-6-10(13(14,15)16)3-4-12(9)18-11/h3-4,6-8,17H,5H2,1-2H3
InChIKeyRVXWAFVGYPSEAP-UHFFFAOYSA-N
XLogP3.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
CID 63086320
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124760702
N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65439011
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119104171
2-methyl-N-[(1R)-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]propane-2-sulfinamide
CID 135377990
methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate
CID 115072049
5-tert-butyl-2-(chloromethyl)-1-benzofuran
CID 46398310
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733542
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84728944
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine (CID 117195061) is N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine is CNC(C)Cc1cc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine?
The InChIKey is RVXWAFVGYPSEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8(17-2)5-11-7-9-6-10(13(14,15)16)3-4-12(9)18-11/h3-4,6-8,17H,5H2,1-2H3.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine?
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine has a molecular weight of 257.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine is sourced from PubChem (CID 117195061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).