N-(furan-3-ylmethyl)-2,6-dimethylaniline

C13H15NO — CID 115749450

IUPACN-(furan-3-ylmethyl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccoc1
InChIInChI=1S/C13H15NO/c1-10-4-3-5-11(2)13(10)14-8-12-6-7-15-9-12/h3-7,9,14H,8H2,1-2H3
InChIKeyMISSTYJIZUTESJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.51
Rot. Bonds3

About N-(furan-3-ylmethyl)-2,6-dimethylaniline

N-(furan-3-ylmethyl)-2,6-dimethylaniline (PubChem CID 115749450) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2,6-dimethylaniline
PubChem CID115749450
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-(furan-3-ylmethyl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccoc1
InChIInChI=1S/C13H15NO/c1-10-4-3-5-11(2)13(10)14-8-12-6-7-15-9-12/h3-7,9,14H,8H2,1-2H3
InChIKeyMISSTYJIZUTESJ-UHFFFAOYSA-N
XLogP3.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2,6-dichloro-N-(furan-3-ylmethyl)aniline
CID 65468765
2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline
CID 61221864
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
N-(furan-3-ylmethyl)aniline
CID 18938795
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789
3-(furan-3-ylmethylamino)-2,6-dimethylphenol
CID 63204508
4-(furan-3-ylmethylamino)-2,5-dimethylphenol
CID 106954030
N-(furan-3-ylmethyl)-2-methylbenzamide
CID 47285303
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2,6-dimethylaniline?
The IUPAC name of N-(furan-3-ylmethyl)-2,6-dimethylaniline (CID 115749450) is N-(furan-3-ylmethyl)-2,6-dimethylaniline.
What is the SMILES notation for N-(furan-3-ylmethyl)-2,6-dimethylaniline?
The canonical SMILES for N-(furan-3-ylmethyl)-2,6-dimethylaniline is Cc1cccc(C)c1NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2,6-dimethylaniline?
The InChIKey is MISSTYJIZUTESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-4-3-5-11(2)13(10)14-8-12-6-7-15-9-12/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-2,6-dimethylaniline?
N-(furan-3-ylmethyl)-2,6-dimethylaniline has a molecular weight of 201.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2,6-dimethylaniline is sourced from PubChem (CID 115749450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).