1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

C13H17NO2 — CID 114820181

IUPAC1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1coc(C)c1)c1cc(C)oc1C
InChIInChI=1S/C13H17NO2/c1-8-5-11(7-15-8)13(14-4)12-6-9(2)16-10(12)3/h5-7,13-14H,1-4H3
InChIKeyYGRAZGSAVCVDRT-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.11
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (PubChem CID 114820181) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
PubChem CID114820181
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1coc(C)c1)c1cc(C)oc1C
InChIInChI=1S/C13H17NO2/c1-8-5-11(7-15-8)13(14-4)12-6-9(2)16-10(12)3/h5-7,13-14H,1-4H3
InChIKeyYGRAZGSAVCVDRT-UHFFFAOYSA-N
XLogP3.11
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81323562
1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107960902
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115851517
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302
1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291435
1-(2,4-dimethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114819922
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 103435167
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (CID 114820181) is 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is CNC(c1coc(C)c1)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The InChIKey is YGRAZGSAVCVDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-11(7-15-8)13(14-4)12-6-9(2)16-10(12)3/h5-7,13-14H,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine has a molecular weight of 219.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114820181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).