4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol

C10H16N2O5 — CID 114210444

IUPAC4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol
SMILESCOCCC(CO)NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H16N2O5/c1-16-5-4-8(7-13)11-6-9-2-3-10(17-9)12(14)15/h2-3,8,11,13H,4-7H2,1H3
InChIKeyIQUCHMAZYWDHJE-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.67
Rot. Bonds8

About 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol

4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol (PubChem CID 114210444) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol
PubChem CID114210444
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol
SMILESCOCCC(CO)NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H16N2O5/c1-16-5-4-8(7-13)11-6-9-2-3-10(17-9)12(14)15/h2-3,8,11,13H,4-7H2,1H3
InChIKeyIQUCHMAZYWDHJE-UHFFFAOYSA-N
XLogP0.67
TPSA97.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(5-nitrofuran-2-yl)methyl]butan-2-amine
CID 63378653
4-methyl-2-[(5-nitrofuran-2-yl)methylamino]pentan-1-ol
CID 61245533
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
tert-butyl N-[4-methyl-2-[(5-nitrofuran-2-yl)methylamino]pentyl]carbamate
CID 113234444
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
2-(dipropoxyphosphorylmethyl)-5-nitrofuran
CID 71392787
1-(4-methylphenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 54863069
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
(1S)-1-(4-fluorophenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 81348306
N-[(5-nitrofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012785
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylamino]butan-1-ol
CID 110922607

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol (CID 114210444) is 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol is COCCC(CO)NCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol?
The InChIKey is IQUCHMAZYWDHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-16-5-4-8(7-13)11-6-9-2-3-10(17-9)12(14)15/h2-3,8,11,13H,4-7H2,1H3.
What are the key properties of 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol?
4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol has a molecular weight of 244.25 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 114210444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).