N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine

C14H25NO3 — CID 62455984

IUPACN-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCc1cc(CNC(C)(C)C)c(C)o1
InChIInChI=1S/C14H25NO3/c1-11-12(9-15-14(2,3)4)8-13(18-11)10-17-7-6-16-5/h8,15H,6-7,9-10H2,1-5H3
InChIKeyHCLQGHDUDZUIQF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.64
Rot. Bonds7

About N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62455984) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62455984
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCc1cc(CNC(C)(C)C)c(C)o1
InChIInChI=1S/C14H25NO3/c1-11-12(9-15-14(2,3)4)8-13(18-11)10-17-7-6-16-5/h8,15H,6-7,9-10H2,1-5H3
InChIKeyHCLQGHDUDZUIQF-UHFFFAOYSA-N
XLogP2.64
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62446188
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 82005396
2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 115942837
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 103406053
2-methyl-N-[[2-methyl-5-(oxetan-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 102608122
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62435944
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine
CID 103406682
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 103401859
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (CID 62455984) is N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is COCCOCc1cc(CNC(C)(C)C)c(C)o1.
What is the InChIKey of N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HCLQGHDUDZUIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-12(9-15-14(2,3)4)8-13(18-11)10-17-7-6-16-5/h8,15H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62455984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).