N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine

C18H25NO2 — CID 62452007

IUPACN-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1ccccc1C(C)(C)C
InChIInChI=1S/C18H25NO2/c1-5-19-12-14-10-11-20-17(14)13-21-16-9-7-6-8-15(16)18(2,3)4/h6-11,19H,5,12-13H2,1-4H3
InChIKeySPGNHLWDSJMOLH-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.27
Rot. Bonds6

About N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62452007) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62452007
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1ccccc1C(C)(C)C
InChIInChI=1S/C18H25NO2/c1-5-19-12-14-10-11-20-17(14)13-21-16-9-7-6-8-15(16)18(2,3)4/h6-11,19H,5,12-13H2,1-4H3
InChIKeySPGNHLWDSJMOLH-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 76943591
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62449654
N-[[2-[(2,5-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 63273237
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[2-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63647733
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82825719
N-[[2-(quinolin-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 107387788
N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 115402761
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 62452007) is N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COc1ccccc1C(C)(C)C.
What is the InChIKey of N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is SPGNHLWDSJMOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-19-12-14-10-11-20-17(14)13-21-16-9-7-6-8-15(16)18(2,3)4/h6-11,19H,5,12-13H2,1-4H3.
What are the key properties of N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.27, 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)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62452007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).