1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine

C17H24BrNO — CID 175463116

IUPAC1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine
SMILESC=CC(C)(CCCC(C)C)ON=Cc1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-5-17(4,12-6-7-14(2)3)20-19-13-15-8-10-16(18)11-9-15/h5,8-11,13-14H,1,6-7,12H2,2-4H3
InChIKeyYBTHDPZMXZJFNB-UHFFFAOYSA-N
MW338.29 g/mol
LogP5.57
Rot. Bonds8

About 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine

1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine (PubChem CID 175463116) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine
PubChem CID175463116
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine
SMILESC=CC(C)(CCCC(C)C)ON=Cc1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-5-17(4,12-6-7-14(2)3)20-19-13-15-8-10-16(18)11-9-15/h5,8-11,13-14H,1,6-7,12H2,2-4H3
InChIKeyYBTHDPZMXZJFNB-UHFFFAOYSA-N
XLogP5.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.29
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine (CID 175463116) is 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine is C=CC(C)(CCCC(C)C)ON=Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine?
The InChIKey is YBTHDPZMXZJFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-5-17(4,12-6-7-14(2)3)20-19-13-15-8-10-16(18)11-9-15/h5,8-11,13-14H,1,6-7,12H2,2-4H3.
What are the key properties of 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine?
1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine has a molecular weight of 338.29 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine is sourced from PubChem (CID 175463116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).