N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C15H19F3N2O — CID 62426439

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10(2)20(9-15(16,17)18)8-14-12(7-19)11-5-3-4-6-13(11)21-14/h3-6,10H,7-9,19H2,1-2H3
InChIKeyRJZPWTAIRRLMCA-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.66
Rot. Bonds5

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 62426439) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID62426439
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10(2)20(9-15(16,17)18)8-14-12(7-19)11-5-3-4-6-13(11)21-14/h3-6,10H,7-9,19H2,1-2H3
InChIKeyRJZPWTAIRRLMCA-UHFFFAOYSA-N
XLogP3.66
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 62426439) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(Cc1oc2ccccc2c1CN)CC(F)(F)F.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is RJZPWTAIRRLMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(2)20(9-15(16,17)18)8-14-12(7-19)11-5-3-4-6-13(11)21-14/h3-6,10H,7-9,19H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 300.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 62426439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).