2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine

C15H15BrN2 — CID 143629772

IUPAC2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine
SMILES[H]/N=C(\c1ccc(Br)cc1)C(NC)c1ccccc1
InChIInChI=1S/C15H15BrN2/c1-18-15(12-5-3-2-4-6-12)14(17)11-7-9-13(16)10-8-11/h2-10,15,17-18H,1H3/b17-14+
InChIKeyOGUACJOSBYQJRS-SAPNQHFASA-N
MW303.20 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine

2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine (PubChem CID 143629772) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine
PubChem CID143629772
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine
SMILES[H]/N=C(\c1ccc(Br)cc1)C(NC)c1ccccc1
InChIInChI=1S/C15H15BrN2/c1-18-15(12-5-3-2-4-6-12)14(17)11-7-9-13(16)10-8-11/h2-10,15,17-18H,1H3/b17-14+
InChIKeyOGUACJOSBYQJRS-SAPNQHFASA-N
XLogP3.78
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.78
H-Bond Donors ≤ 52
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 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine (CID 143629772) is 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine is [H]/N=C(\c1ccc(Br)cc1)C(NC)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine?
The InChIKey is OGUACJOSBYQJRS-SAPNQHFASA-N. The full InChI is InChI=1S/C15H15BrN2/c1-18-15(12-5-3-2-4-6-12)14(17)11-7-9-13(16)10-8-11/h2-10,15,17-18H,1H3/b17-14+.
What are the key properties of 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine?
2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine has a molecular weight of 303.20 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine is sourced from PubChem (CID 143629772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).