N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine

C14H25NO3 — CID 55077409

IUPACN-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCOC(C)C)o1
InChIInChI=1S/C14H25NO3/c1-4-7-15-10-13-5-6-14(18-13)11-16-8-9-17-12(2)3/h5-6,12,15H,4,7-11H2,1-3H3
InChIKeyBJVSRWYYCFEDLE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds10

About N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine

N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 55077409) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID55077409
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCOC(C)C)o1
InChIInChI=1S/C14H25NO3/c1-4-7-15-10-13-5-6-14(18-13)11-16-8-9-17-12(2)3/h5-6,12,15H,4,7-11H2,1-3H3
InChIKeyBJVSRWYYCFEDLE-UHFFFAOYSA-N
XLogP2.72
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
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-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457294
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62456496
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
CID 115710576
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
CID 62455416
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
CID 62338618
N-[[5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63491815

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 55077409) is N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCCOC(C)C)o1.
What is the InChIKey of N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is BJVSRWYYCFEDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-7-15-10-13-5-6-14(18-13)11-16-8-9-17-12(2)3/h5-6,12,15H,4,7-11H2,1-3H3.
What are the key properties of N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55077409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).