N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine

C12H22N2O2 — CID 62436655

IUPACN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cc(CN)c(C)o1
InChIInChI=1S/C12H22N2O2/c1-4-14(5-6-15-3)9-12-7-11(8-13)10(2)16-12/h7H,4-6,8-9,13H2,1-3H3
InChIKeyMBMYJQMHUMAMHB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.52
Rot. Bonds7

About N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine

N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 62436655) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
PubChem CID62436655
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cc(CN)c(C)o1
InChIInChI=1S/C12H22N2O2/c1-4-14(5-6-15-3)9-12-7-11(8-13)10(2)16-12/h7H,4-6,8-9,13H2,1-3H3
InChIKeyMBMYJQMHUMAMHB-UHFFFAOYSA-N
XLogP1.52
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62435593
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82952579
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62435770
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62435944
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62435949
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436717
N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102997752
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340457
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine
CID 62420758
[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine
CID 103406682
N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62429791

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine (CID 62436655) is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)Cc1cc(CN)c(C)o1.
What is the InChIKey of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is MBMYJQMHUMAMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-14(5-6-15-3)9-12-7-11(8-13)10(2)16-12/h7H,4-6,8-9,13H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine?
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 226.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 62436655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).