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

C16H24N2O — CID 102653327

IUPAC3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(C1=CCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N2O/c1-4-10-17-16(15-9-6-11-19-15)13-7-5-8-14(12-13)18(2)3/h5,7-9,12,16-17H,4,6,10-11H2,1-3H3
InChIKeyVDXDEGDXCYISPW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.10
Rot. Bonds6

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

3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline (PubChem CID 102653327) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline
PubChem CID102653327
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(C1=CCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N2O/c1-4-10-17-16(15-9-6-11-19-15)13-7-5-8-14(12-13)18(2)3/h5,7-9,12,16-17H,4,6,10-11H2,1-3H3
InChIKeyVDXDEGDXCYISPW-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.10
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(propylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline (CID 102653327) is 3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline is CCCNC(C1=CCCO1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline?
The InChIKey is VDXDEGDXCYISPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-10-17-16(15-9-6-11-19-15)13-7-5-8-14(12-13)18(2)3/h5,7-9,12,16-17H,4,6,10-11H2,1-3H3.
What are the key properties of 3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline?
3-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylaniline has a molecular weight of 260.38 g/mol, XLogP of 3.10, 6 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(propylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 102653327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).