2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine

C18H25NO2 — CID 62598772

IUPAC2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCCNCc1ccoc1
InChIInChI=1S/C18H25NO2/c1-14-11-16(18(2,3)4)5-6-17(14)21-10-8-19-12-15-7-9-20-13-15/h5-7,9,11,13,19H,8,10,12H2,1-4H3
InChIKeyWAFRNTTXBAJRMU-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine

2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 62598772) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine
PubChem CID62598772
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCCNCc1ccoc1
InChIInChI=1S/C18H25NO2/c1-14-11-16(18(2,3)4)5-6-17(14)21-10-8-19-12-15-7-9-20-13-15/h5-7,9,11,13,19H,8,10,12H2,1-4H3
InChIKeyWAFRNTTXBAJRMU-UHFFFAOYSA-N
XLogP4.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine (CID 62598772) is 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine is Cc1cc(C(C)(C)C)ccc1OCCNCc1ccoc1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is WAFRNTTXBAJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-11-16(18(2,3)4)5-6-17(14)21-10-8-19-12-15-7-9-20-13-15/h5-7,9,11,13,19H,8,10,12H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62598772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).