3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine

C12H17N3O2 — CID 54976458

IUPAC3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESc1coc(COCCCNCc2ncc[nH]2)c1
InChIInChI=1S/C12H17N3O2/c1-3-11(17-8-1)10-16-7-2-4-13-9-12-14-5-6-15-12/h1,3,5-6,8,13H,2,4,7,9-10H2,(H,14,15)
InChIKeyDEIFOEKYRCYBDQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.70
Rot. Bonds8

About 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine

3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine (PubChem CID 54976458) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
PubChem CID54976458
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESc1coc(COCCCNCc2ncc[nH]2)c1
InChIInChI=1S/C12H17N3O2/c1-3-11(17-8-1)10-16-7-2-4-13-9-12-14-5-6-15-12/h1,3,5-6,8,13H,2,4,7,9-10H2,(H,14,15)
InChIKeyDEIFOEKYRCYBDQ-UHFFFAOYSA-N
XLogP1.70
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
3-(furan-2-ylmethoxy)-N-(1H-indol-4-ylmethyl)propan-1-amine
CID 63000090
3-(furan-2-ylmethoxy)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102909348
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 115682204
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 78959610
N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 79420297
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 79832671
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine (CID 54976458) is 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine is c1coc(COCCCNCc2ncc[nH]2)c1.
What is the InChIKey of 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The InChIKey is DEIFOEKYRCYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-11(17-8-1)10-16-7-2-4-13-9-12-14-5-6-15-12/h1,3,5-6,8,13H,2,4,7,9-10H2,(H,14,15).
What are the key properties of 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 54976458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).