2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine

C12H21NO3 — CID 62564988

IUPAC2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCc1ccco1
InChIInChI=1S/C12H21NO3/c1-11(9-13-6-4-7-14-2)16-10-12-5-3-8-15-12/h3,5,8,11,13H,4,6-7,9-10H2,1-2H3
InChIKeyQPTAIGRGLHWYGP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.81
Rot. Bonds9

About 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine

2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine (PubChem CID 62564988) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
PubChem CID62564988
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCc1ccco1
InChIInChI=1S/C12H21NO3/c1-11(9-13-6-4-7-14-2)16-10-12-5-3-8-15-12/h3,5,8,11,13H,4,6-7,9-10H2,1-2H3
InChIKeyQPTAIGRGLHWYGP-UHFFFAOYSA-N
XLogP1.81
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.81
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-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
CID 62564799
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
N-[2-(furan-2-ylmethoxy)propyl]butan-2-amine
CID 62564797
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
2-(butan-2-yloxymethyl)furan
CID 118563774
N-[2-(furan-2-ylmethoxy)propyl]cyclopropanamine
CID 62444662
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
2-(hexan-2-yloxymethyl)furan
CID 141468564
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine
CID 62565600

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine (CID 62564988) is 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)OCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is QPTAIGRGLHWYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(9-13-6-4-7-14-2)16-10-12-5-3-8-15-12/h3,5,8,11,13H,4,6-7,9-10H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine?
2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 62564988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).