N-(furan-3-ylmethyl)-3,4-dimethylaniline

C13H15NO — CID 63204332

IUPACN-(furan-3-ylmethyl)-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccoc2)cc1C
InChIInChI=1S/C13H15NO/c1-10-3-4-13(7-11(10)2)14-8-12-5-6-15-9-12/h3-7,9,14H,8H2,1-2H3
InChIKeyWDSLMQDVNJPQMJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.51
Rot. Bonds3

About N-(furan-3-ylmethyl)-3,4-dimethylaniline

N-(furan-3-ylmethyl)-3,4-dimethylaniline (PubChem CID 63204332) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3,4-dimethylaniline
PubChem CID63204332
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-(furan-3-ylmethyl)-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccoc2)cc1C
InChIInChI=1S/C13H15NO/c1-10-3-4-13(7-11(10)2)14-8-12-5-6-15-9-12/h3-7,9,14H,8H2,1-2H3
InChIKeyWDSLMQDVNJPQMJ-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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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3,4-dimethylaniline?
The IUPAC name of N-(furan-3-ylmethyl)-3,4-dimethylaniline (CID 63204332) is N-(furan-3-ylmethyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(furan-3-ylmethyl)-3,4-dimethylaniline?
The canonical SMILES for N-(furan-3-ylmethyl)-3,4-dimethylaniline is Cc1ccc(NCc2ccoc2)cc1C.
What is the InChIKey of N-(furan-3-ylmethyl)-3,4-dimethylaniline?
The InChIKey is WDSLMQDVNJPQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-3-4-13(7-11(10)2)14-8-12-5-6-15-9-12/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-3,4-dimethylaniline?
N-(furan-3-ylmethyl)-3,4-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)-3,4-dimethylaniline is sourced from PubChem (CID 63204332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).