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

C16H20BrN3 — CID 143629771

IUPAC2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine
SMILESCN.[H]/N=C(\c1ccc(Br)cc1)C(NC)c1ccccc1
InChIInChI=1S/C15H15BrN2.CH5N/c1-18-15(12-5-3-2-4-6-12)14(17)11-7-9-13(16)10-8-11;1-2/h2-10,15,17-18H,1H3;2H2,1H3/b17-14+;
InChIKeyLWJPLHROMSPGJE-KLSJZZFUSA-N
MW334.26 g/mol
LogP3.35
Rot. Bonds4

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

2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine (PubChem CID 143629771) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine
PubChem CID143629771
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine
SMILESCN.[H]/N=C(\c1ccc(Br)cc1)C(NC)c1ccccc1
InChIInChI=1S/C15H15BrN2.CH5N/c1-18-15(12-5-3-2-4-6-12)14(17)11-7-9-13(16)10-8-11;1-2/h2-10,15,17-18H,1H3;2H2,1H3/b17-14+;
InChIKeyLWJPLHROMSPGJE-KLSJZZFUSA-N
XLogP3.35
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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;methanamine?
The IUPAC name of 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine (CID 143629771) is 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine is CN.[H]/N=C(\c1ccc(Br)cc1)C(NC)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine?
The InChIKey is LWJPLHROMSPGJE-KLSJZZFUSA-N. The full InChI is InChI=1S/C15H15BrN2.CH5N/c1-18-15(12-5-3-2-4-6-12)14(17)11-7-9-13(16)10-8-11;1-2/h2-10,15,17-18H,1H3;2H2,1H3/b17-14+;.
What are the key properties of 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine?
2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine has a molecular weight of 334.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-imino-N-methyl-1-phenylethanamine;methanamine is sourced from PubChem (CID 143629771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).