N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine

C14H11BrClNO — CID 73380524

IUPACN-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(C=NOCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrClNO/c15-13-5-1-12(2-6-13)10-18-17-9-11-3-7-14(16)8-4-11/h1-9H,10H2
InChIKeyHKLHHAIMVQWFOO-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.65
Rot. Bonds4

About N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine

N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine (PubChem CID 73380524) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
PubChem CID73380524
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC NameN-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(C=NOCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrClNO/c15-13-5-1-12(2-6-13)10-18-17-9-11-3-7-14(16)8-4-11/h1-9H,10H2
InChIKeyHKLHHAIMVQWFOO-UHFFFAOYSA-N
XLogP4.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.65
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

(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 7702211
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
CID 134051370
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
(Z)-N-[(4-chlorophenyl)methoxy]ethanimine
CID 97307953
N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
CID 2803585
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 7702644
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine
CID 118480607

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine?
The IUPAC name of N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine (CID 73380524) is N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine.
What is the SMILES notation for N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine?
The canonical SMILES for N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine is Clc1ccc(C=NOCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine?
The InChIKey is HKLHHAIMVQWFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c15-13-5-1-12(2-6-13)10-18-17-9-11-3-7-14(16)8-4-11/h1-9H,10H2.
What are the key properties of N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine?
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine has a molecular weight of 324.61 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine is sourced from PubChem (CID 73380524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).