2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine

C16H22N2O2 — CID 61426229

IUPAC2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
SMILESCc1occc1CN(C)CCOc1ccc(CN)cc1
InChIInChI=1S/C16H22N2O2/c1-13-15(7-9-19-13)12-18(2)8-10-20-16-5-3-14(11-17)4-6-16/h3-7,9H,8,10-12,17H2,1-2H3
InChIKeyXTUKHKMCLUFXMO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine

2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine (PubChem CID 61426229) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
PubChem CID61426229
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
SMILESCc1occc1CN(C)CCOc1ccc(CN)cc1
InChIInChI=1S/C16H22N2O2/c1-13-15(7-9-19-13)12-18(2)8-10-20-16-5-3-14(11-17)4-6-16/h3-7,9H,8,10-12,17H2,1-2H3
InChIKeyXTUKHKMCLUFXMO-UHFFFAOYSA-N
XLogP2.56
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 62460192
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine (CID 61426229) is 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine is Cc1occc1CN(C)CCOc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is XTUKHKMCLUFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-15(7-9-19-13)12-18(2)8-10-20-16-5-3-14(11-17)4-6-16/h3-7,9H,8,10-12,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 61426229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).