3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol

C10H17NO3 — CID 115710395

IUPAC3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
SMILESCOCc1ccc(CNCCCO)o1
InChIInChI=1S/C10H17NO3/c1-13-8-10-4-3-9(14-10)7-11-5-2-6-12/h3-4,11-12H,2,5-8H2,1H3
InChIKeyPQUOZPOMNNFCKF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.90
Rot. Bonds7

About 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol

3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol (PubChem CID 115710395) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
PubChem CID115710395
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
SMILESCOCc1ccc(CNCCCO)o1
InChIInChI=1S/C10H17NO3/c1-13-8-10-4-3-9(14-10)7-11-5-2-6-12/h3-4,11-12H,2,5-8H2,1H3
InChIKeyPQUOZPOMNNFCKF-UHFFFAOYSA-N
XLogP0.90
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.90
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

2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
CID 12655820
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
CID 115710985
2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide
CID 91929390
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol (CID 115710395) is 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol is COCc1ccc(CNCCCO)o1.
What is the InChIKey of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol?
The InChIKey is PQUOZPOMNNFCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-8-10-4-3-9(14-10)7-11-5-2-6-12/h3-4,11-12H,2,5-8H2,1H3.
What are the key properties of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol?
3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol has a molecular weight of 199.25 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol is sourced from PubChem (CID 115710395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).