N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine

C16H18N2O2 — CID 2803134

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine
SMILESCOc1ccc(CC/N=C/c2ccccn2)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-7-6-13(11-16(15)20-2)8-10-17-12-14-5-3-4-9-18-14/h3-7,9,11-12H,8,10H2,1-2H3/b17-12+
InChIKeyIWTDPGKJBJHTNB-SFQUDFHCSA-N
MW270.33 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine (PubChem CID 2803134) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine
PubChem CID2803134
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine
SMILESCOc1ccc(CC/N=C/c2ccccn2)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-7-6-13(11-16(15)20-2)8-10-17-12-14-5-3-4-9-18-14/h3-7,9,11-12H,8,10H2,1-2H3/b17-12+
InChIKeyIWTDPGKJBJHTNB-SFQUDFHCSA-N
XLogP2.76
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
PF-07038124
CID 148293990
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
6,7-Dimethoxy-1-methylisoquinoline
CID 20725
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
CT 1730; GR 259653X
CID 89809670
6,7-Dimethoxyisoquinoline
CID 177578

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine (CID 2803134) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine is COc1ccc(CC/N=C/c2ccccn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine?
The InChIKey is IWTDPGKJBJHTNB-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-15-7-6-13(11-16(15)20-2)8-10-17-12-14-5-3-4-9-18-14/h3-7,9,11-12H,8,10H2,1-2H3/b17-12+.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine has a molecular weight of 270.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 2803134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).