N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine

C14H21N3O2 — CID 104759298

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H21N3O2/c1-11(2)18-10-7-15-13(12-5-4-9-19-12)14-16-6-8-17(14)3/h4-6,8-9,11,13,15H,7,10H2,1-3H3
InChIKeyPRWITFKIOAVQAJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds7

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 104759298) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
PubChem CID104759298
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H21N3O2/c1-11(2)18-10-7-15-13(12-5-4-9-19-12)14-16-6-8-17(14)3/h4-6,8-9,11,13,15H,7,10H2,1-3H3
InChIKeyPRWITFKIOAVQAJ-UHFFFAOYSA-N
XLogP2.12
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
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

3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770887
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine (CID 104759298) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine is CC(C)OCCNC(c1ccco1)c1nccn1C.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is PRWITFKIOAVQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)18-10-7-15-13(12-5-4-9-19-12)14-16-6-8-17(14)3/h4-6,8-9,11,13,15H,7,10H2,1-3H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104759298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).