3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline

C16H24N2O — CID 102649394

IUPAC3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline
SMILESCCNC(C1=CCCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N2O/c1-4-17-16(15-10-5-6-11-19-15)13-8-7-9-14(12-13)18(2)3/h7-10,12,16-17H,4-6,11H2,1-3H3
InChIKeyDWFDABXHKSERII-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.10
Rot. Bonds5

About 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline

3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline (PubChem CID 102649394) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline
PubChem CID102649394
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline
SMILESCCNC(C1=CCCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N2O/c1-4-17-16(15-10-5-6-11-19-15)13-8-7-9-14(12-13)18(2)3/h7-10,12,16-17H,4-6,11H2,1-3H3
InChIKeyDWFDABXHKSERII-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

3,4-dihydro-2H-pyran-6-yl-[3-(dimethylamino)phenyl]methanol
CID 102649826
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline
CID 105092548
N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 102648838
3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline
CID 106657376
[3,4-dihydro-2H-pyran-6-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 102649871
3-[ethylamino-(2-methoxyphenyl)methyl]-N,N-dimethylaniline
CID 105093677
N-[(3-chloro-4,5-dimethoxyphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647242
N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102648959
N-[2,3-dihydrofuran-5-yl(quinolin-6-yl)methyl]ethanamine
CID 102651527
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline (CID 102649394) is 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline is CCNC(C1=CCCCO1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is DWFDABXHKSERII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-17-16(15-10-5-6-11-19-15)13-8-7-9-14(12-13)18(2)3/h7-10,12,16-17H,4-6,11H2,1-3H3.
What are the key properties of 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline?
3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 260.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 102649394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).