1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

C15H16F3NO — CID 105029270

IUPAC1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)Cc1ccco1
InChIInChI=1S/C15H16F3NO/c1-19-13(10-14-3-2-8-20-14)9-11-4-6-12(7-5-11)15(16,17)18/h2-8,13,19H,9-10H2,1H3
InChIKeyCKLJETAQQGNGMS-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.67
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 105029270) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID105029270
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)Cc1ccco1
InChIInChI=1S/C15H16F3NO/c1-19-13(10-14-3-2-8-20-14)9-11-4-6-12(7-5-11)15(16,17)18/h2-8,13,19H,9-10H2,1H3
InChIKeyCKLJETAQQGNGMS-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-(furan-2-yl)-N-methyl-3-naphthalen-2-ylpropan-2-amine
CID 105177393
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148345
2-[2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 148633925
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
[1-(furan-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105235150
2-(furan-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177292
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 105029270) is 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is CNC(Cc1ccc(C(F)(F)F)cc1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is CKLJETAQQGNGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-19-13(10-14-3-2-8-20-14)9-11-4-6-12(7-5-11)15(16,17)18/h2-8,13,19H,9-10H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 283.29 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 105029270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).