(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine

C14H12ClNO — CID 117060747

IUPAC(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
SMILESClc1ccc(CO/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H12ClNO/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-10H,11H2/b16-10+
InChIKeyXJWIWRFTUXIFRM-MHWRWJLKSA-N
MW245.71 g/mol
LogP3.89
Rot. Bonds4

About (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine

(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine (PubChem CID 117060747) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
PubChem CID117060747
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
SMILESClc1ccc(CO/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H12ClNO/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-10H,11H2/b16-10+
InChIKeyXJWIWRFTUXIFRM-MHWRWJLKSA-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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Related Compounds

N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
CID 2803585
(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
CID 134051370
(Z)-N-[(4-chlorophenyl)methoxy]ethanimine
CID 97307953
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine
CID 9353710
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 7702644

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine?
The IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine (CID 117060747) is (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine is Clc1ccc(CO/N=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine?
The InChIKey is XJWIWRFTUXIFRM-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-10H,11H2/b16-10+.
What are the key properties of (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine?
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine 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 (E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine is sourced from PubChem (CID 117060747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).