N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine

C15H17IN2 — CID 65478370

IUPACN-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccc(I)cc1
InChIInChI=1S/C15H17IN2/c1-18(11-8-13-6-9-17-10-7-13)12-14-2-4-15(16)5-3-14/h2-7,9-10H,8,11-12H2,1H3
InChIKeyBHMFCDDPFZDNMM-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine

N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 65478370) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID65478370
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC NameN-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccc(I)cc1
InChIInChI=1S/C15H17IN2/c1-18(11-8-13-6-9-17-10-7-13)12-14-2-4-15(16)5-3-14/h2-7,9-10H,8,11-12H2,1H3
InChIKeyBHMFCDDPFZDNMM-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine 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

N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441
N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 86815162
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine
CID 74231773
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
N-[(4-iodophenyl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112700451
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 54945558
4-[(4-iodophenyl)methyl]pyridine
CID 14743030

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 65478370) is N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is BHMFCDDPFZDNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2/c1-18(11-8-13-6-9-17-10-7-13)12-14-2-4-15(16)5-3-14/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 352.22 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 65478370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).