1-(3-chlorophenyl)-N-phenylmethoxymethanimine

C14H12ClNO — CID 75852286

IUPAC1-(3-chlorophenyl)-N-phenylmethoxymethanimine
SMILESClc1cccc(C=NOCc2ccccc2)c1
InChIInChI=1S/C14H12ClNO/c15-14-8-4-7-13(9-14)10-16-17-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyNLSCRHCOJMPSBG-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.89
Rot. Bonds4

About 1-(3-chlorophenyl)-N-phenylmethoxymethanimine

1-(3-chlorophenyl)-N-phenylmethoxymethanimine (PubChem CID 75852286) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-phenylmethoxymethanimine
PubChem CID75852286
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name1-(3-chlorophenyl)-N-phenylmethoxymethanimine
SMILESClc1cccc(C=NOCc2ccccc2)c1
InChIInChI=1S/C14H12ClNO/c15-14-8-4-7-13(9-14)10-16-17-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyNLSCRHCOJMPSBG-UHFFFAOYSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-phenylmethoxymethanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-phenylmethoxymethanimine (CID 75852286) is 1-(3-chlorophenyl)-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-phenylmethoxymethanimine is Clc1cccc(C=NOCc2ccccc2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-phenylmethoxymethanimine?
The InChIKey is NLSCRHCOJMPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-14-8-4-7-13(9-14)10-16-17-11-12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 1-(3-chlorophenyl)-N-phenylmethoxymethanimine?
1-(3-chlorophenyl)-N-phenylmethoxymethanimine has a molecular weight of 245.71 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 75852286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).