3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline

C14H20N2O — CID 102653544

IUPAC3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(C1=CCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O/c1-15-14(13-8-5-9-17-13)11-6-4-7-12(10-11)16(2)3/h4,6-8,10,14-15H,5,9H2,1-3H3
InChIKeyXIBKFZYYOYMSNQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.32
Rot. Bonds4

About 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline

3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline (PubChem CID 102653544) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline
PubChem CID102653544
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(C1=CCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O/c1-15-14(13-8-5-9-17-13)11-6-4-7-12(10-11)16(2)3/h4,6-8,10,14-15H,5,9H2,1-3H3
InChIKeyXIBKFZYYOYMSNQ-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline (CID 102653544) is 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline is CNC(C1=CCCO1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline?
The InChIKey is XIBKFZYYOYMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-14(13-8-5-9-17-13)11-6-4-7-12(10-11)16(2)3/h4,6-8,10,14-15H,5,9H2,1-3H3.
What are the key properties of 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline?
3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline has a molecular weight of 232.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 102653544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).