1-(furan-3-yl)-N-propan-2-yloxymethanamine

C8H13NO2 — CID 131223098

IUPAC1-(furan-3-yl)-N-propan-2-yloxymethanamine
SMILESCC(C)ONCc1ccoc1
InChIInChI=1S/C8H13NO2/c1-7(2)11-9-5-8-3-4-10-6-8/h3-4,6-7,9H,5H2,1-2H3
InChIKeyBXPNHJQQBDZIQA-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.71
Rot. Bonds4

About 1-(furan-3-yl)-N-propan-2-yloxymethanamine

1-(furan-3-yl)-N-propan-2-yloxymethanamine (PubChem CID 131223098) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-propan-2-yloxymethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-propan-2-yloxymethanamine
PubChem CID131223098
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(furan-3-yl)-N-propan-2-yloxymethanamine
SMILESCC(C)ONCc1ccoc1
InChIInChI=1S/C8H13NO2/c1-7(2)11-9-5-8-3-4-10-6-8/h3-4,6-7,9H,5H2,1-2H3
InChIKeyBXPNHJQQBDZIQA-UHFFFAOYSA-N
XLogP1.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Furan-3-yl)methanamine
CID 2776197
1-(Furan-3-yl)methanamine hydrochloride
CID 2795087
Ethyl((furan-3-yl)methyl)amine
CID 23383580
1-(furan-3-yl)-N-methylmethanamine
CID 13112617
[(Furan-3-yl)methyl](2-methylpropyl)amine hydrochloride
CID 167715635
N-ethyl-N-(furan-3-ylmethyl)ethanamine
CID 54164025
(Furan-3-ylmethyl)(2-methylpropyl)amine
CID 45790741
N-(furan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276416
1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82710535
3-fluoro-N-(furan-3-ylmethyl)propan-1-amine
CID 115733070
N-(3-furylmethyl)-2-methoxyethanamine
CID 62544942
N-(furan-3-ylmethyl)-2-methylpropan-2-amine
CID 10654428

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-propan-2-yloxymethanamine?
The IUPAC name of 1-(furan-3-yl)-N-propan-2-yloxymethanamine (CID 131223098) is 1-(furan-3-yl)-N-propan-2-yloxymethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-propan-2-yloxymethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-propan-2-yloxymethanamine is CC(C)ONCc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-propan-2-yloxymethanamine?
The InChIKey is BXPNHJQQBDZIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)11-9-5-8-3-4-10-6-8/h3-4,6-7,9H,5H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-propan-2-yloxymethanamine?
1-(furan-3-yl)-N-propan-2-yloxymethanamine has a molecular weight of 155.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-propan-2-yloxymethanamine is sourced from PubChem (CID 131223098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).