2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine

C14H15IN2 — CID 65477287

IUPAC2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cccnc1
InChIInChI=1S/C14H15IN2/c1-16-14(12-3-2-8-17-10-12)9-11-4-6-13(15)7-5-11/h2-8,10,14,16H,9H2,1H3
InChIKeyWUSQPZRCRHHGBW-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine

2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 65477287) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
PubChem CID65477287
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cccnc1
InChIInChI=1S/C14H15IN2/c1-16-14(12-3-2-8-17-10-12)9-11-4-6-13(15)7-5-11/h2-8,10,14,16H,9H2,1H3
InChIKeyWUSQPZRCRHHGBW-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine (CID 65477287) is 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine is CNC(Cc1ccc(I)cc1)c1cccnc1.
What is the InChIKey of 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is WUSQPZRCRHHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c1-16-14(12-3-2-8-17-10-12)9-11-4-6-13(15)7-5-11/h2-8,10,14,16H,9H2,1H3.
What are the key properties of 2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine?
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 338.19 g/mol, XLogP of 3.19, 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-pyridin-3-ylethanamine is sourced from PubChem (CID 65477287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).