N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine

C17H23NO2 — CID 104790245

IUPACN-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)c1ccoc1C
InChIInChI=1S/C17H23NO2/c1-5-18-17(16-9-10-19-13(16)4)14-7-6-8-15(11-14)20-12(2)3/h6-12,17-18H,5H2,1-4H3
InChIKeyJGLCTANKQYTGNE-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.07
Rot. Bonds6

About N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine

N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 104790245) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID104790245
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)c1ccoc1C
InChIInChI=1S/C17H23NO2/c1-5-18-17(16-9-10-19-13(16)4)14-7-6-8-15(11-14)20-12(2)3/h6-12,17-18H,5H2,1-4H3
InChIKeyJGLCTANKQYTGNE-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692753
N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790226
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
N-[(4-bromothiophen-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105010681
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(3-chloro-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103406913
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
CID 104790228
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453401
N-[(3-bromo-4-propoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104658044
N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 104790245) is N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC(C)C)c1)c1ccoc1C.
What is the InChIKey of N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is JGLCTANKQYTGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-18-17(16-9-10-19-13(16)4)14-7-6-8-15(11-14)20-12(2)3/h6-12,17-18H,5H2,1-4H3.
What are the key properties of N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104790245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).