N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine

C15H27NO4 — CID 103406053

IUPACN-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCCOCCOC)oc1C
InChIInChI=1S/C15H27NO4/c1-4-16-11-14-10-15(20-13(14)2)12-19-7-5-6-18-9-8-17-3/h10,16H,4-9,11-12H2,1-3H3
InChIKeyHAPQQXZKIZENHI-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.27
Rot. Bonds12

About N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine

N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine (PubChem CID 103406053) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
PubChem CID103406053
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC NameN-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCCOCCOC)oc1C
InChIInChI=1S/C15H27NO4/c1-4-16-11-14-10-15(20-13(14)2)12-19-7-5-6-18-9-8-17-3/h10,16H,4-9,11-12H2,1-3H3
InChIKeyHAPQQXZKIZENHI-UHFFFAOYSA-N
XLogP2.27
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine
CID 103406682
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008490
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65125800
N-[[3-bromo-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]ethanamine
CID 103406158
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
N-[[2-methyl-5-[(1-methylpiperidin-4-yl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62443209
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine (CID 103406053) is N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine is CCNCc1cc(COCCCOCCOC)oc1C.
What is the InChIKey of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The InChIKey is HAPQQXZKIZENHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-16-11-14-10-15(20-13(14)2)12-19-7-5-6-18-9-8-17-3/h10,16H,4-9,11-12H2,1-3H3.
What are the key properties of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine has a molecular weight of 285.38 g/mol, XLogP of 2.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 103406053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).