1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine

C16H16ClNO2 — CID 57062929

IUPAC1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(OCc2ccccc2CCl)cc1
InChIInChI=1S/C16H16ClNO2/c1-19-18-11-13-6-8-16(9-7-13)20-12-15-5-3-2-4-14(15)10-17/h2-9,11H,10,12H2,1H3
InChIKeyMKGJGJFNSZQKCP-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine

1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine (PubChem CID 57062929) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine
PubChem CID57062929
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(OCc2ccccc2CCl)cc1
InChIInChI=1S/C16H16ClNO2/c1-19-18-11-13-6-8-16(9-7-13)20-12-15-5-3-2-4-14(15)10-17/h2-9,11H,10,12H2,1H3
InChIKeyMKGJGJFNSZQKCP-UHFFFAOYSA-N
XLogP3.98
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine
CID 57281154
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
1-butan-2-yl-4-[[2-(chloromethyl)phenyl]methoxy]benzene
CID 139652394
5-chloro-1-[4-(methoxyiminomethyl)phenoxy]-3,3-dimethylpentan-2-one
CID 173400359
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184
[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
CID 139235234
N-(5-chloro-2-methylphenyl)-1-[4-[(2-chlorophenyl)methoxy]phenyl]methanimine
CID 126206758
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397265
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147439
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine?
The IUPAC name of 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine (CID 57062929) is 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine.
What is the SMILES notation for 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine?
The canonical SMILES for 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine is CON=Cc1ccc(OCc2ccccc2CCl)cc1.
What is the InChIKey of 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine?
The InChIKey is MKGJGJFNSZQKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-19-18-11-13-6-8-16(9-7-13)20-12-15-5-3-2-4-14(15)10-17/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine?
1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine has a molecular weight of 289.76 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine is sourced from PubChem (CID 57062929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).