4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline

C19H26N2O2 — CID 18004124

IUPAC4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline
SMILESCCOc1cc(-c2ccc(N(CC)CC)cc2)cc(OCC)n1
InChIInChI=1S/C19H26N2O2/c1-5-21(6-2)17-11-9-15(10-12-17)16-13-18(22-7-3)20-19(14-16)23-8-4/h9-14H,5-8H2,1-4H3
InChIKeyCCCQQGOSIXDPDW-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.39
Rot. Bonds8

About 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline

4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline (PubChem CID 18004124) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline
PubChem CID18004124
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline
SMILESCCOc1cc(-c2ccc(N(CC)CC)cc2)cc(OCC)n1
InChIInChI=1S/C19H26N2O2/c1-5-21(6-2)17-11-9-15(10-12-17)16-13-18(22-7-3)20-19(14-16)23-8-4/h9-14H,5-8H2,1-4H3
InChIKeyCCCQQGOSIXDPDW-UHFFFAOYSA-N
XLogP4.39
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Benzyloxy-6-(4-dimethylamino-phenyl)-5-(4-methoxy-phenyl)-nicotinonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline?
The IUPAC name of 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline (CID 18004124) is 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline?
The canonical SMILES for 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline is CCOc1cc(-c2ccc(N(CC)CC)cc2)cc(OCC)n1.
What is the InChIKey of 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline?
The InChIKey is CCCQQGOSIXDPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-21(6-2)17-11-9-15(10-12-17)16-13-18(22-7-3)20-19(14-16)23-8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline?
4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline has a molecular weight of 314.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline is sourced from PubChem (CID 18004124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).