N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine

C14H25NO3 — CID 62443740

IUPACN-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCOCCOCc1cc(CNC(C)C)oc1C
InChIInChI=1S/C14H25NO3/c1-5-16-6-7-17-10-13-8-14(18-12(13)4)9-15-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyWZSZWWOVBRPHID-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.64
Rot. Bonds9

About N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine

N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62443740) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62443740
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCOCCOCc1cc(CNC(C)C)oc1C
InChIInChI=1S/C14H25NO3/c1-5-16-6-7-17-10-13-8-14(18-12(13)4)9-15-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyWZSZWWOVBRPHID-UHFFFAOYSA-N
XLogP2.64
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55072922
N-[[4-[(3,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63496300
N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 63492477
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990
2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 115942837
N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62460704
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine (CID 62443740) is N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine is CCOCCOCc1cc(CNC(C)C)oc1C.
What is the InChIKey of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is WZSZWWOVBRPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-16-6-7-17-10-13-8-14(18-12(13)4)9-15-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3.
What are the key properties of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62443740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).