1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine

C14H11BrClNO — CID 21211700

IUPAC1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrClNO/c1-18-14-6-5-12(8-13(14)16)17-9-10-3-2-4-11(15)7-10/h2-9H,1H3/b17-9+
InChIKeyRYXJXKDBWFKBTI-RQZCQDPDSA-N
MW324.61 g/mol
LogP4.86
Rot. Bonds3

About 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine

1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine (PubChem CID 21211700) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
PubChem CID21211700
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrClNO/c1-18-14-6-5-12(8-13(14)16)17-9-10-3-2-4-11(15)7-10/h2-9H,1H3/b17-9+
InChIKeyRYXJXKDBWFKBTI-RQZCQDPDSA-N
XLogP4.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine?
The IUPAC name of 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine (CID 21211700) is 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cccc(Br)c2)cc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine?
The InChIKey is RYXJXKDBWFKBTI-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-18-14-6-5-12(8-13(14)16)17-9-10-3-2-4-11(15)7-10/h2-9H,1H3/b17-9+.
What are the key properties of 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine?
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine has a molecular weight of 324.61 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine is sourced from PubChem (CID 21211700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).