1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine

C14H13ClINO — CID 43479857

IUPAC1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Oc1ccccc1I
InChIInChI=1S/C14H13ClINO/c1-17-9-10-11(15)5-4-8-13(10)18-14-7-3-2-6-12(14)16/h2-8,17H,9H2,1H3
InChIKeyWFDYGIKYZTXPSH-UHFFFAOYSA-N
MW373.62 g/mol
LogP4.46
Rot. Bonds4

About 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine

1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine (PubChem CID 43479857) has the molecular formula C14H13ClINO and a molecular weight of 373.62 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
PubChem CID43479857
Molecular FormulaC14H13ClINO
Molecular Weight373.62 g/mol
Exact Mass372.97
IUPAC Name1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Oc1ccccc1I
InChIInChI=1S/C14H13ClINO/c1-17-9-10-11(15)5-4-8-13(10)18-14-7-3-2-6-12(14)16/h2-8,17H,9H2,1H3
InChIKeyWFDYGIKYZTXPSH-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine 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-[3-chloro-2-(methylaminomethyl)phenoxy]benzamide
CID 43282446
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 114318831
1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine
CID 104708094
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
1-[2-chloro-6-(2-methyl-3-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032203
1-[2-(2,3-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282384
3-[3-chloro-2-(methylaminomethyl)phenoxy]butan-2-ol
CID 114318725

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine (CID 43479857) is 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1Oc1ccccc1I.
What is the InChIKey of 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is WFDYGIKYZTXPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClINO/c1-17-9-10-11(15)5-4-8-13(10)18-14-7-3-2-6-12(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 373.62 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43479857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).