N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine

C13H17NO2 — CID 114820177

IUPACN-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccc(C)o1
InChIInChI=1S/C13H17NO2/c1-4-14-13(11-7-10(3)15-8-11)12-6-5-9(2)16-12/h5-8,13-14H,4H2,1-3H3
InChIKeyQWXLEXVQAJRFGO-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.19
Rot. Bonds4

About N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine

N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 114820177) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID114820177
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccc(C)o1
InChIInChI=1S/C13H17NO2/c1-4-14-13(11-7-10(3)15-8-11)12-6-5-9(2)16-12/h5-8,13-14H,4H2,1-3H3
InChIKeyQWXLEXVQAJRFGO-UHFFFAOYSA-N
XLogP3.19
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 66260331
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(7-chloro-1-benzofuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105048573
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine (CID 114820177) is N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1coc(C)c1)c1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is QWXLEXVQAJRFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-14-13(11-7-10(3)15-8-11)12-6-5-9(2)16-12/h5-8,13-14H,4H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 219.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 114820177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).