1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine

C16H18BrN3O — CID 143630982

IUPAC1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine
SMILESCN.[H]/N=C(C(=N/[H])/c1cccc(Br)c1)\c1ccc(OC)cc1
InChIInChI=1S/C15H13BrN2O.CH5N/c1-19-13-7-5-10(6-8-13)14(17)15(18)11-3-2-4-12(16)9-11;1-2/h2-9,17-18H,1H3;2H2,1H3/b17-14+,18-15+;
InChIKeyGYICMOAQLOTPTN-MYRXNRIDSA-N
MW348.24 g/mol
LogP3.47
Rot. Bonds4

About 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine

1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine (PubChem CID 143630982) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine
PubChem CID143630982
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine
SMILESCN.[H]/N=C(C(=N/[H])/c1cccc(Br)c1)\c1ccc(OC)cc1
InChIInChI=1S/C15H13BrN2O.CH5N/c1-19-13-7-5-10(6-8-13)14(17)15(18)11-3-2-4-12(16)9-11;1-2/h2-9,17-18H,1H3;2H2,1H3/b17-14+,18-15+;
InChIKeyGYICMOAQLOTPTN-MYRXNRIDSA-N
XLogP3.47
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine (CID 143630982) is 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine is CN.[H]/N=C(C(=N/[H])/c1cccc(Br)c1)\c1ccc(OC)cc1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine?
The InChIKey is GYICMOAQLOTPTN-MYRXNRIDSA-N. The full InChI is InChI=1S/C15H13BrN2O.CH5N/c1-19-13-7-5-10(6-8-13)14(17)15(18)11-3-2-4-12(16)9-11;1-2/h2-9,17-18H,1H3;2H2,1H3/b17-14+,18-15+;.
What are the key properties of 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine?
1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine has a molecular weight of 348.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine is sourced from PubChem (CID 143630982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).