1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine

C13H20INO — CID 116715433

IUPAC1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1ccc(I)cc1)NC
InChIInChI=1S/C13H20INO/c1-4-13(16-3)12(15-2)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeyXRQZAVWBPDHXGY-UHFFFAOYSA-N
MW333.21 g/mol
LogP2.85
Rot. Bonds6

About 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine

1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine (PubChem CID 116715433) has the molecular formula C13H20INO and a molecular weight of 333.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
PubChem CID116715433
Molecular FormulaC13H20INO
Molecular Weight333.21 g/mol
Exact Mass333.06
IUPAC Name1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1ccc(I)cc1)NC
InChIInChI=1S/C13H20INO/c1-4-13(16-3)12(15-2)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeyXRQZAVWBPDHXGY-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-iodophenyl)-3-methoxypentan-2-ol
CID 116710944
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715439
1-(5-ethyl-2-pyridinyl)-3-methoxy-N-methylpentan-2-amine
CID 116715456
N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
CID 116715729
[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246005
3-(4-ethylphenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492024
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715583
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116716532
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine (CID 116715433) is 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine is CCC(OC)C(Cc1ccc(I)cc1)NC.
What is the InChIKey of 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine?
The InChIKey is XRQZAVWBPDHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO/c1-4-13(16-3)12(15-2)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,4,9H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine?
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine has a molecular weight of 333.21 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 116715433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).