2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine

C15H17IN2 — CID 65478941

IUPAC2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cccc(C)n1
InChIInChI=1S/C15H17IN2/c1-11-4-3-5-14(18-11)15(17-2)10-12-6-8-13(16)9-7-12/h3-9,15,17H,10H2,1-2H3
InChIKeyTYBCGKVTKOGLPQ-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine

2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine (PubChem CID 65478941) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
PubChem CID65478941
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC Name2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cccc(C)n1
InChIInChI=1S/C15H17IN2/c1-11-4-3-5-14(18-11)15(17-2)10-12-6-8-13(16)9-7-12/h3-9,15,17H,10H2,1-2H3
InChIKeyTYBCGKVTKOGLPQ-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine 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

2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105151834
[2-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219183
(2S)-2-(methylamino)-2-(6-methyl-2-pyridinyl)ethanol
CID 55277338
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864205
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
N-methyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 82877517
4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 64566820
2-(3,4-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 82922139
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
N,3-dimethyl-1-(6-methyl-2-pyridinyl)hexan-1-amine
CID 63553639

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine (CID 65478941) is 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine is CNC(Cc1ccc(I)cc1)c1cccc(C)n1.
What is the InChIKey of 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine?
The InChIKey is TYBCGKVTKOGLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2/c1-11-4-3-5-14(18-11)15(17-2)10-12-6-8-13(16)9-7-12/h3-9,15,17H,10H2,1-2H3.
What are the key properties of 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine?
2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine has a molecular weight of 352.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 65478941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).