[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine

C9H15NO2 — CID 62445439

IUPAC[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine
SMILESCCOCc1cc(C)c(CN)o1
InChIInChI=1S/C9H15NO2/c1-3-11-6-8-4-7(2)9(5-10)12-8/h4H,3,5-6,10H2,1-2H3
InChIKeyXBGOHDZMOZNRGQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.58
Rot. Bonds4

About [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine

[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine (PubChem CID 62445439) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine
PubChem CID62445439
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine
SMILESCCOCc1cc(C)c(CN)o1
InChIInChI=1S/C9H15NO2/c1-3-11-6-8-4-7(2)9(5-10)12-8/h4H,3,5-6,10H2,1-2H3
InChIKeyXBGOHDZMOZNRGQ-UHFFFAOYSA-N
XLogP1.58
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methanamine
CID 82831775
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62440838
[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62783793
[3-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methanamine
CID 55077682
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 55077160
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62484281
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 62447453
[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55078007
2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran
CID 163489878

Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine (CID 62445439) is [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine is CCOCc1cc(C)c(CN)o1.
What is the InChIKey of [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine?
The InChIKey is XBGOHDZMOZNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-11-6-8-4-7(2)9(5-10)12-8/h4H,3,5-6,10H2,1-2H3.
What are the key properties of [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine?
[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine has a molecular weight of 169.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62445439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).