N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

C13H15F3N2O — CID 62428149

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C13H15F3N2O/c1-18(8-13(14,15)16)7-12-10(6-17)9-4-2-3-5-11(9)19-12/h2-5H,6-8,17H2,1H3
InChIKeyQLXIUHGGDLZTLK-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.89
Rot. Bonds4

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 62428149) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID62428149
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1oc2ccccc2c1CN)CC(F)(F)F
InChIInChI=1S/C13H15F3N2O/c1-18(8-13(14,15)16)7-12-10(6-17)9-4-2-3-5-11(9)19-12/h2-5H,6-8,17H2,1H3
InChIKeyQLXIUHGGDLZTLK-UHFFFAOYSA-N
XLogP2.89
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
N-((Benzofuran-2-yl)methyl)-N''-benzylpiperazine
CID 5009938
2-(Aminomethyl)benzofuran
CID 19079348
5-Ethyl-6-methyl-3-{[(3-methyl-1-benzofuran-2-yl)methyl]amino}-1,2-dihydropyridin-2-one
CID 454453
1-(1-Benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine
CID 3845148
4-Methyl-1,2,3,4-tetrahydro-benzofuro[3,2-c]pyridine
CID 4127040
N-Benzofuran-2-ylmethyl-N-ethyl-N',N'-dimethyl-pentane-1,5-diamine
CID 11979286
N1-(benzofuran-2-ylmethyl)-N1,N5,N5-trimethylpentane-1,5-diamine hydrochloride
CID 16192902
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
3-((3R,4R)-1-Benzofuran-2-ylmethyl-3,4-dimethyl-piperidin-4-yl)-benzamide
CID 44358967
2-(1-Benzofuran-2-yl)-1-methylpyrrolidine
CID 44398756
N-((Benzofuran-2-yl)methyl)-N''-(2''-methoxybenzyl)piperazine
CID 46914485

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 62428149) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is CN(Cc1oc2ccccc2c1CN)CC(F)(F)F.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is QLXIUHGGDLZTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18(8-13(14,15)16)7-12-10(6-17)9-4-2-3-5-11(9)19-12/h2-5H,6-8,17H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 272.27 g/mol, XLogP of 2.89, 4 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]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 62428149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).