N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine

C18H25NO2 — CID 62571794

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCOc1ccccc1C(C)(C)C)c1ccco1
InChIInChI=1S/C18H25NO2/c1-14(16-10-7-12-20-16)19-11-13-21-17-9-6-5-8-15(17)18(2,3)4/h5-10,12,14,19H,11,13H2,1-4H3
InChIKeyMHWFQZKDTKMWGE-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.31
Rot. Bonds6

About N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine

N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 62571794) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID62571794
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCOc1ccccc1C(C)(C)C)c1ccco1
InChIInChI=1S/C18H25NO2/c1-14(16-10-7-12-20-16)19-11-13-21-17-9-6-5-8-15(17)18(2,3)4/h5-10,12,14,19H,11,13H2,1-4H3
InChIKeyMHWFQZKDTKMWGE-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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

(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 63504424
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 107101788
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571514
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
CID 63649726
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]ethoxy]benzoic acid
CID 103260045

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine (CID 62571794) is N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine is CC(NCCOc1ccccc1C(C)(C)C)c1ccco1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is MHWFQZKDTKMWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(16-10-7-12-20-16)19-11-13-21-17-9-6-5-8-15(17)18(2,3)4/h5-10,12,14,19H,11,13H2,1-4H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine?
N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 62571794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).