N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine

C18H25NO2 — CID 54797964

IUPACN-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
SMILESCCC(C)(C)c1ccc(OCCNCc2ccco2)cc1
InChIInChI=1S/C18H25NO2/c1-4-18(2,3)15-7-9-16(10-8-15)21-13-11-19-14-17-6-5-12-20-17/h5-10,12,19H,4,11,13-14H2,1-3H3
InChIKeyFUKMVNKCEZPUHL-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.14
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine

N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine (PubChem CID 54797964) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
PubChem CID54797964
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
SMILESCCC(C)(C)c1ccc(OCCNCc2ccco2)cc1
InChIInChI=1S/C18H25NO2/c1-4-18(2,3)15-7-9-16(10-8-15)21-13-11-19-14-17-6-5-12-20-17/h5-10,12,19H,4,11,13-14H2,1-3H3
InChIKeyFUKMVNKCEZPUHL-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.14
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-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793
N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 6457238
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]heptan-1-amine
CID 54797456
4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
CID 54801101
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid
CID 2923338
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54810139
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine (CID 54797964) is N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine is CCC(C)(C)c1ccc(OCCNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine?
The InChIKey is FUKMVNKCEZPUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-18(2,3)15-7-9-16(10-8-15)21-13-11-19-14-17-6-5-12-20-17/h5-10,12,19H,4,11,13-14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine?
N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine is sourced from PubChem (CID 54797964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).