2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine

C18H25NO2 — CID 105349096

IUPAC2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCc2ccco2)cc1
InChIInChI=1S/C18H25NO2/c1-3-10-19-12-15(2)17-8-6-16(7-9-17)13-20-14-18-5-4-11-21-18/h4-9,11,15,19H,3,10,12-14H2,1-2H3
InChIKeyAZQVHDMXWORODP-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.10
Rot. Bonds9

About 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine

2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 105349096) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
PubChem CID105349096
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCc2ccco2)cc1
InChIInChI=1S/C18H25NO2/c1-3-10-19-12-15(2)17-8-6-16(7-9-17)13-20-14-18-5-4-11-21-18/h4-9,11,15,19H,3,10,12-14H2,1-2H3
InChIKeyAZQVHDMXWORODP-UHFFFAOYSA-N
XLogP4.10
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan
CID 59854335
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
CID 62564799
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
4-(furan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62464220
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine (CID 105349096) is 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(COCc2ccco2)cc1.
What is the InChIKey of 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is AZQVHDMXWORODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-10-19-12-15(2)17-8-6-16(7-9-17)13-20-14-18-5-4-11-21-18/h4-9,11,15,19H,3,10,12-14H2,1-2H3.
What are the key properties of 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105349096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).