N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine

C13H19IN2O — CID 163667771

IUPACN-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine
SMILESC/N=C(C(\COC)=I\N(C)C)/c1ccccc1
InChIInChI=1S/C13H19IN2O/c1-15-13(11-8-6-5-7-9-11)12(10-17-4)14-16(2)3/h5-9H,10H2,1-4H3/b15-13-
InChIKeyIZYNFBPSTHCFLD-SQFISAMPSA-N
MW346.21 g/mol
LogP2.37
Rot. Bonds5

About N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine

N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine (PubChem CID 163667771) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine
PubChem CID163667771
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC NameN-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine
SMILESC/N=C(C(\COC)=I\N(C)C)/c1ccccc1
InChIInChI=1S/C13H19IN2O/c1-15-13(11-8-6-5-7-9-11)12(10-17-4)14-16(2)3/h5-9H,10H2,1-4H3/b15-13-
InChIKeyIZYNFBPSTHCFLD-SQFISAMPSA-N
XLogP2.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine?
The IUPAC name of N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine (CID 163667771) is N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine.
What is the SMILES notation for N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine?
The canonical SMILES for N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine is C/N=C(C(\COC)=I\N(C)C)/c1ccccc1.
What is the InChIKey of N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine?
The InChIKey is IZYNFBPSTHCFLD-SQFISAMPSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-15-13(11-8-6-5-7-9-11)12(10-17-4)14-16(2)3/h5-9H,10H2,1-4H3/b15-13-.
What are the key properties of N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine?
N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine has a molecular weight of 346.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1-methylimino-1-phenylpropan-2-ylidene)-λ3-iodanyl]-N-methylmethanamine is sourced from PubChem (CID 163667771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).