1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine

C20H16ClNO — CID 126210140

IUPAC1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1cccc(COc2ccc(/C=N/c3ccccc3)cc2)c1
InChIInChI=1S/C20H16ClNO/c21-18-6-4-5-17(13-18)15-23-20-11-9-16(10-12-20)14-22-19-7-2-1-3-8-19/h1-14H,15H2/b22-14+
InChIKeyZYKOLUJRPZSGCH-HYARGMPZSA-N
MW321.81 g/mol
LogP5.67
Rot. Bonds5

About 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine

1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine (PubChem CID 126210140) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
PubChem CID126210140
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1cccc(COc2ccc(/C=N/c3ccccc3)cc2)c1
InChIInChI=1S/C20H16ClNO/c21-18-6-4-5-17(13-18)15-23-20-11-9-16(10-12-20)14-22-19-7-2-1-3-8-19/h1-14H,15H2/b22-14+
InChIKeyZYKOLUJRPZSGCH-HYARGMPZSA-N
XLogP5.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210174
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126217743
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 2763529
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106
2-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339708
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine (CID 126210140) is 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine is Clc1cccc(COc2ccc(/C=N/c3ccccc3)cc2)c1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The InChIKey is ZYKOLUJRPZSGCH-HYARGMPZSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-18-6-4-5-17(13-18)15-23-20-11-9-16(10-12-20)14-22-19-7-2-1-3-8-19/h1-14H,15H2/b22-14+.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine has a molecular weight of 321.81 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126210140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).