3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine

C16H17NO3 — CID 65325233

IUPAC3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c(COCc2ccco2)c1
InChIInChI=1S/C16H17NO3/c1-18-15-7-6-13(4-2-8-17)14(10-15)11-19-12-16-5-3-9-20-16/h3,5-7,9-10H,8,11-12,17H2,1H3
InChIKeyZWGRABNTASFOSB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds5

About 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine

3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine (PubChem CID 65325233) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
PubChem CID65325233
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c(COCc2ccco2)c1
InChIInChI=1S/C16H17NO3/c1-18-15-7-6-13(4-2-8-17)14(10-15)11-19-12-16-5-3-9-20-16/h3,5-7,9-10H,8,11-12,17H2,1H3
InChIKeyZWGRABNTASFOSB-UHFFFAOYSA-N
XLogP2.32
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]but-3-yn-1-ol
CID 65323507
3-[4-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 115942439
3-[4-(furan-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969860
3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323748
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
CID 65325687
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N,4-dimethylpentan-2-amine
CID 65325215
3-[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 79183515
3-[2-[(3-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 65325725
[5-(furan-2-ylmethoxymethyl)-2-methoxyphenyl]methanamine
CID 65338776
3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
CID 65323849
3-[2-(cyclohexylsulfanylmethyl)-4-methoxyphenyl]prop-2-yn-1-amine
CID 65325530
4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323848

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine (CID 65325233) is 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine is COc1ccc(C#CCN)c(COCc2ccco2)c1.
What is the InChIKey of 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
The InChIKey is ZWGRABNTASFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-18-15-7-6-13(4-2-8-17)14(10-15)11-19-12-16-5-3-9-20-16/h3,5-7,9-10H,8,11-12,17H2,1H3.
What are the key properties of 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine has a molecular weight of 271.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 65325233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).