3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine

C17H23NO2 — CID 83183304

IUPAC3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine
SMILESCOCCNCC(Cc1ccoc1)c1cccc(C)c1
InChIInChI=1S/C17H23NO2/c1-14-4-3-5-16(10-14)17(12-18-7-9-19-2)11-15-6-8-20-13-15/h3-6,8,10,13,17-18H,7,9,11-12H2,1-2H3
InChIKeyRIGXQXRTVDDZOG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds8

About 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine

3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 83183304) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine
PubChem CID83183304
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine
SMILESCOCCNCC(Cc1ccoc1)c1cccc(C)c1
InChIInChI=1S/C17H23NO2/c1-14-4-3-5-16(10-14)17(12-18-7-9-19-2)11-15-6-8-20-13-15/h3-6,8,10,13,17-18H,7,9,11-12H2,1-2H3
InChIKeyRIGXQXRTVDDZOG-UHFFFAOYSA-N
XLogP3.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
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

4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79422698
2-(furan-3-yl)-1-(3-methylphenyl)ethanol
CID 83171478
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
CID 79422692
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79431151
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine (CID 83183304) is 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine is COCCNCC(Cc1ccoc1)c1cccc(C)c1.
What is the InChIKey of 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is RIGXQXRTVDDZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-4-3-5-16(10-14)17(12-18-7-9-19-2)11-15-6-8-20-13-15/h3-6,8,10,13,17-18H,7,9,11-12H2,1-2H3.
What are the key properties of 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine?
3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 83183304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).