N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine

C15H16F3NO — CID 63086320

IUPACN-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H16F3NO/c1-10(19-2)8-13-6-7-14(20-13)11-4-3-5-12(9-11)15(16,17)18/h3-7,9-10,19H,8H2,1-2H3
InChIKeyGWNBYLQHOVCTBS-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.12
Rot. Bonds4

About N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine

N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine (PubChem CID 63086320) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
PubChem CID63086320
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H16F3NO/c1-10(19-2)8-13-6-7-14(20-13)11-4-3-5-12(9-11)15(16,17)18/h3-7,9-10,19H,8H2,1-2H3
InChIKeyGWNBYLQHOVCTBS-UHFFFAOYSA-N
XLogP4.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63086504
4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]butane-1,3-diamine
CID 140508777
3-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17210670
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
(2R)-3-methyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylamino]butanoic acid
CID 99124828
1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55180352
1-[5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63084101
2-[methyl-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]propanoic acid
CID 122036729
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine
CID 117195061
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine (CID 63086320) is N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine is CNC(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
The InChIKey is GWNBYLQHOVCTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-10(19-2)8-13-6-7-14(20-13)11-4-3-5-12(9-11)15(16,17)18/h3-7,9-10,19H,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine has a molecular weight of 283.29 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine is sourced from PubChem (CID 63086320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).