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

C15H19F3N2O — CID 62427198

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-2-7-20(10-15(16,17)18)9-14-12(8-19)11-5-3-4-6-13(11)21-14/h3-6H,2,7-10,19H2,1H3
InChIKeyMILCKXGEVKANAM-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.67
Rot. Bonds6

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

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62427198) 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-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62427198
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-1-amine
SMILESCCCN(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-2-7-20(10-15(16,17)18)9-14-12(8-19)11-5-3-4-6-13(11)21-14/h3-6H,2,7-10,19H2,1H3
InChIKeyMILCKXGEVKANAM-UHFFFAOYSA-N
XLogP3.67
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.67
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-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62427198) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1oc2ccccc2c1CN)CC(F)(F)F.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is MILCKXGEVKANAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-7-20(10-15(16,17)18)9-14-12(8-19)11-5-3-4-6-13(11)21-14/h3-6H,2,7-10,19H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 300.32 g/mol, XLogP of 3.67, 6 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-1-amine is sourced from PubChem (CID 62427198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).