(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine

C15H14ClNO — CID 134051370

IUPAC(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
SMILESCc1cccc(CO/N=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO/c1-12-3-2-4-14(9-12)11-18-17-10-13-5-7-15(16)8-6-13/h2-10H,11H2,1H3/b17-10+
InChIKeyLBYYEWONZWSHNL-LICLKQGHSA-N
MW259.74 g/mol
LogP4.20
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine

(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine (PubChem CID 134051370) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
PubChem CID134051370
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
SMILESCc1cccc(CO/N=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO/c1-12-3-2-4-14(9-12)11-18-17-10-13-5-7-15(16)8-6-13/h2-10H,11H2,1H3/b17-10+
InChIKeyLBYYEWONZWSHNL-LICLKQGHSA-N
XLogP4.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.20
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

1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
N-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856157
3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide
CID 78766577
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 76856045
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene
CID 158114303

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine (CID 134051370) is (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine is Cc1cccc(CO/N=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine?
The InChIKey is LBYYEWONZWSHNL-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-12-3-2-4-14(9-12)11-18-17-10-13-5-7-15(16)8-6-13/h2-10H,11H2,1H3/b17-10+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine has a molecular weight of 259.74 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 134051370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).