1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine

C20H17ClN2O — CID 173361449

IUPAC1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
SMILESClc1cccc(C(=NOCCc2ccccc2)c2cccnc2)c1
InChIInChI=1S/C20H17ClN2O/c21-19-10-4-8-17(14-19)20(18-9-5-12-22-15-18)23-24-13-11-16-6-2-1-3-7-16/h1-10,12,14-15H,11,13H2
InChIKeyYUXLLHJLCYDRMR-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.75
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine

1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine (PubChem CID 173361449) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
PubChem CID173361449
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
SMILESClc1cccc(C(=NOCCc2ccccc2)c2cccnc2)c1
InChIInChI=1S/C20H17ClN2O/c21-19-10-4-8-17(14-19)20(18-9-5-12-22-15-18)23-24-13-11-16-6-2-1-3-7-16/h1-10,12,14-15H,11,13H2
InChIKeyYUXLLHJLCYDRMR-UHFFFAOYSA-N
XLogP4.75
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
CID 173361338
2-[3-[3-[[phenyl(pyridin-3-yl)methylidene]amino]oxypropyl]phenoxy]acetic acid
CID 54181595
2-[3-[3-(dipyridin-3-ylmethylideneamino)oxypropyl]phenoxy]acetic acid
CID 21221330
2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium
CID 7038310
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
(Z)-N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 15144858
N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 23724221
N'-[2-(3-chlorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 52502341
N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine
CID 173361328
[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
CID 5348619
(3R)-1-[2-[bis(3-chlorophenyl)methylideneamino]oxyethyl]piperidin-1-ium-3-carboxylic acid chloride
CID 10718678
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine (CID 173361449) is 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine is Clc1cccc(C(=NOCCc2ccccc2)c2cccnc2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
The InChIKey is YUXLLHJLCYDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-19-10-4-8-17(14-19)20(18-9-5-12-22-15-18)23-24-13-11-16-6-2-1-3-7-16/h1-10,12,14-15H,11,13H2.
What are the key properties of 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine?
1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine has a molecular weight of 336.82 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 173361449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).