1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine

C22H22N2O3 — CID 173361338

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
SMILESCOc1ccc(C(=NOCCc2ccccc2)c2cccnc2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-25-20-11-10-18(15-21(20)26-2)22(19-9-6-13-23-16-19)24-27-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3
InChIKeyMAIQRVDVBXTERC-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.11
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine

1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine (PubChem CID 173361338) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
PubChem CID173361338
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
SMILESCOc1ccc(C(=NOCCc2ccccc2)c2cccnc2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-25-20-11-10-18(15-21(20)26-2)22(19-9-6-13-23-16-19)24-27-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3
InChIKeyMAIQRVDVBXTERC-UHFFFAOYSA-N
XLogP4.11
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine (CID 173361338) is 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine is COc1ccc(C(=NOCCc2ccccc2)c2cccnc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
The InChIKey is MAIQRVDVBXTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-25-20-11-10-18(15-21(20)26-2)22(19-9-6-13-23-16-19)24-27-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine has a molecular weight of 362.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 173361338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).