N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine

C15H16F3NO — CID 66476806

IUPACN-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
SMILESCNC(C)c1ccc(-c2cc(C(F)(F)F)ccc2C)o1
InChIInChI=1S/C15H16F3NO/c1-9-4-5-11(15(16,17)18)8-12(9)14-7-6-13(20-14)10(2)19-3/h4-8,10,19H,1-3H3
InChIKeyJBIGIKADOAJAAQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.55
Rot. Bonds3

About N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine

N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine (PubChem CID 66476806) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
PubChem CID66476806
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
SMILESCNC(C)c1ccc(-c2cc(C(F)(F)F)ccc2C)o1
InChIInChI=1S/C15H16F3NO/c1-9-4-5-11(15(16,17)18)8-12(9)14-7-6-13(20-14)10(2)19-3/h4-8,10,19H,1-3H3
InChIKeyJBIGIKADOAJAAQ-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 66476989
1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine
CID 107593417
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 64855703
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398755
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride
CID 168665304
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
CID 117195401
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine
CID 62498077

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine (CID 66476806) is N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine is CNC(C)c1ccc(-c2cc(C(F)(F)F)ccc2C)o1.
What is the InChIKey of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
The InChIKey is JBIGIKADOAJAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-9-4-5-11(15(16,17)18)8-12(9)14-7-6-13(20-14)10(2)19-3/h4-8,10,19H,1-3H3.
What are the key properties of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine has a molecular weight of 283.29 g/mol, XLogP of 4.55, 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-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine is sourced from PubChem (CID 66476806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).