1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

C14H15IN2 — CID 105023193

IUPAC1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1cccc(I)c1
InChIInChI=1S/C14H15IN2/c1-10-6-12(9-17-8-10)14(16-2)11-4-3-5-13(15)7-11/h3-9,14,16H,1-2H3
InChIKeyVAZGWKHMLZMQCO-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105023193) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID105023193
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1cccc(I)c1
InChIInChI=1S/C14H15IN2/c1-10-6-12(9-17-8-10)14(16-2)11-4-3-5-13(15)7-11/h3-9,14,16H,1-2H3
InChIKeyVAZGWKHMLZMQCO-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(5-methyl-3-pyridinyl)-1-phenylmethanamine
CID 115374320
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
1-(3-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105171226
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 115374301
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 82810031
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43484544
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (CID 105023193) is 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is CNC(c1cncc(C)c1)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is VAZGWKHMLZMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c1-10-6-12(9-17-8-10)14(16-2)11-4-3-5-13(15)7-11/h3-9,14,16H,1-2H3.
What are the key properties of 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 338.19 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105023193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).