N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine

C22H19ClN2O — CID 3565789

IUPACN-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine
SMILESClc1ccc(CON=C(c2ccccn2)C2CC2c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O/c23-18-11-9-16(10-12-18)15-26-25-22(21-8-4-5-13-24-21)20-14-19(20)17-6-2-1-3-7-17/h1-13,19-20H,14-15H2
InChIKeyKXSCUFLGDPVJOC-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.46
Rot. Bonds6

About N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine

N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine (PubChem CID 3565789) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine
PubChem CID3565789
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC NameN-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine
SMILESClc1ccc(CON=C(c2ccccn2)C2CC2c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O/c23-18-11-9-16(10-12-18)15-26-25-22(21-8-4-5-13-24-21)20-14-19(20)17-6-2-1-3-7-17/h1-13,19-20H,14-15H2
InChIKeyKXSCUFLGDPVJOC-UHFFFAOYSA-N
XLogP5.46
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856977
(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544487
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544488
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
CID 4527288
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
CID 91719094
N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide
CID 3562027
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone
CID 40542856
1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine
CID 123190449

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine (CID 3565789) is N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine is Clc1ccc(CON=C(c2ccccn2)C2CC2c2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine?
The InChIKey is KXSCUFLGDPVJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c23-18-11-9-16(10-12-18)15-26-25-22(21-8-4-5-13-24-21)20-14-19(20)17-6-2-1-3-7-17/h1-13,19-20H,14-15H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine?
N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine has a molecular weight of 362.86 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 3565789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).