1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine

C12H17IN2O — CID 163980632

IUPAC1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(I)ccc1N1CCOCC1
InChIInChI=1S/C12H17IN2O/c1-14-9-10-8-11(13)2-3-12(10)15-4-6-16-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySYBJMEWGDBHONN-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.85
Rot. Bonds3

About 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine

1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine (PubChem CID 163980632) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine
PubChem CID163980632
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(I)ccc1N1CCOCC1
InChIInChI=1S/C12H17IN2O/c1-14-9-10-8-11(13)2-3-12(10)15-4-6-16-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySYBJMEWGDBHONN-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine (CID 163980632) is 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine is CNCc1cc(I)ccc1N1CCOCC1.
What is the InChIKey of 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine?
The InChIKey is SYBJMEWGDBHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-14-9-10-8-11(13)2-3-12(10)15-4-6-16-7-5-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine?
1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine has a molecular weight of 332.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-2-morpholin-4-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 163980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).