3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine

C15H16F3NO — CID 60961509

IUPAC3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
SMILESCc1ccc(CNC(CC(F)(F)F)c2ccccc2)o1
InChIInChI=1S/C15H16F3NO/c1-11-7-8-13(20-11)10-19-14(9-15(16,17)18)12-5-3-2-4-6-12/h2-8,14,19H,9-10H2,1H3
InChIKeyWMHOFWMELUKZLJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.37
Rot. Bonds5

About 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine

3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine (PubChem CID 60961509) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
PubChem CID60961509
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
SMILESCc1ccc(CNC(CC(F)(F)F)c2ccccc2)o1
InChIInChI=1S/C15H16F3NO/c1-11-7-8-13(20-11)10-19-14(9-15(16,17)18)12-5-3-2-4-6-12/h2-8,14,19H,9-10H2,1H3
InChIKeyWMHOFWMELUKZLJ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449854
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-[(4,5-dimethylthiophen-2-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 65246588
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
CID 115607292
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
CID 62847357
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 115767647
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895245

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine (CID 60961509) is 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine is Cc1ccc(CNC(CC(F)(F)F)c2ccccc2)o1.
What is the InChIKey of 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine?
The InChIKey is WMHOFWMELUKZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-11-7-8-13(20-11)10-19-14(9-15(16,17)18)12-5-3-2-4-6-12/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine?
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine has a molecular weight of 283.29 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 60961509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).