2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine

C15H17IN2O — CID 105151971

IUPAC2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cccnc1OC
InChIInChI=1S/C15H17IN2O/c1-17-14(10-11-5-7-12(16)8-6-11)13-4-3-9-18-15(13)19-2/h3-9,14,17H,10H2,1-2H3
InChIKeySRXQVHFANYPQHU-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine

2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine (PubChem CID 105151971) has the molecular formula C15H17IN2O and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
PubChem CID105151971
Molecular FormulaC15H17IN2O
Molecular Weight368.22 g/mol
Exact Mass368.04
IUPAC Name2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cccnc1OC
InChIInChI=1S/C15H17IN2O/c1-17-14(10-11-5-7-12(16)8-6-11)13-4-3-9-18-15(13)19-2/h3-9,14,17H,10H2,1-2H3
InChIKeySRXQVHFANYPQHU-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine 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-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105085579
2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105177427
1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 105139852
1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864340
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
CID 105151840
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 65477287
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
2-(3,5-dimethylphenyl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105099080

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine (CID 105151971) is 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1cccnc1OC.
What is the InChIKey of 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The InChIKey is SRXQVHFANYPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O/c1-17-14(10-11-5-7-12(16)8-6-11)13-4-3-9-18-15(13)19-2/h3-9,14,17H,10H2,1-2H3.
What are the key properties of 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine has a molecular weight of 368.22 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105151971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).