N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

C14H17F3N2O — CID 62427519

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-2-19(9-14(15,16)17)8-13-11(7-18)10-5-3-4-6-12(10)20-13/h3-6H,2,7-9,18H2,1H3
InChIKeyBXJRVVXJLONQPO-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.28
Rot. Bonds5

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 62427519) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID62427519
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-2-19(9-14(15,16)17)8-13-11(7-18)10-5-3-4-6-12(10)20-13/h3-6H,2,7-9,18H2,1H3
InChIKeyBXJRVVXJLONQPO-UHFFFAOYSA-N
XLogP3.28
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.28
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-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 62427519) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1oc2ccccc2c1CN)CC(F)(F)F.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is BXJRVVXJLONQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-19(9-14(15,16)17)8-13-11(7-18)10-5-3-4-6-12(10)20-13/h3-6H,2,7-9,18H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 286.30 g/mol, XLogP of 3.28, 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-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62427519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).