[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine

C17H23NO2 — CID 62454775

IUPAC[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
SMILESCCC(C)(C)c1ccc(OCc2occc2CN)cc1
InChIInChI=1S/C17H23NO2/c1-4-17(2,3)14-5-7-15(8-6-14)20-12-16-13(11-18)9-10-19-16/h5-10H,4,11-12,18H2,1-3H3
InChIKeyYZAJZHIRWYFYLT-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.00
Rot. Bonds6

About [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine

[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine (PubChem CID 62454775) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
PubChem CID62454775
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
SMILESCCC(C)(C)c1ccc(OCc2occc2CN)cc1
InChIInChI=1S/C17H23NO2/c1-4-17(2,3)14-5-7-15(8-6-14)20-12-16-13(11-18)9-10-19-16/h5-10H,4,11-12,18H2,1-3H3
InChIKeyYZAJZHIRWYFYLT-UHFFFAOYSA-N
XLogP4.00
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
CID 62486299
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 63984257
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 20985841
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
[2-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107314996
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62454073
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
[3-[(4-butylphenoxy)methyl]furan-2-yl]methanamine
CID 115493291
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine (CID 62454775) is [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine is CCC(C)(C)c1ccc(OCc2occc2CN)cc1.
What is the InChIKey of [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine?
The InChIKey is YZAJZHIRWYFYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-17(2,3)14-5-7-15(8-6-14)20-12-16-13(11-18)9-10-19-16/h5-10H,4,11-12,18H2,1-3H3.
What are the key properties of [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine?
[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62454775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).