2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine

C17H23NO2 — CID 62572477

IUPAC2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESCCC(C)c1ccccc1OCCNCc1ccoc1
InChIInChI=1S/C17H23NO2/c1-3-14(2)16-6-4-5-7-17(16)20-11-9-18-12-15-8-10-19-13-15/h4-8,10,13-14,18H,3,9,11-12H2,1-2H3
InChIKeyGPOLOWMLFCEEEF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.96
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine

2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 62572477) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
PubChem CID62572477
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESCCC(C)c1ccccc1OCCNCc1ccoc1
InChIInChI=1S/C17H23NO2/c1-3-14(2)16-6-4-5-7-17(16)20-11-9-18-12-15-8-10-19-13-15/h4-8,10,13-14,18H,3,9,11-12H2,1-2H3
InChIKeyGPOLOWMLFCEEEF-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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

N-(furan-3-ylmethyl)-2-naphthalen-1-yloxyethanamine
CID 62571544
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598874
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 63517054
N-(furan-3-ylmethyl)-2-(2-methylquinolin-8-yl)oxyethanamine
CID 62584312
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598772
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine (CID 62572477) is 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine is CCC(C)c1ccccc1OCCNCc1ccoc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is GPOLOWMLFCEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-14(2)16-6-4-5-7-17(16)20-11-9-18-12-15-8-10-19-13-15/h4-8,10,13-14,18H,3,9,11-12H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62572477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).