2-(4-iodophenyl)-N-methyl-1-phenylethanamine

C15H16IN — CID 65479327

IUPAC2-(4-iodophenyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H16IN/c1-17-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h2-10,15,17H,11H2,1H3
InChIKeyXGKGVQFWRHGISE-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-iodophenyl)-N-methyl-1-phenylethanamine

2-(4-iodophenyl)-N-methyl-1-phenylethanamine (PubChem CID 65479327) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-methyl-1-phenylethanamine
PubChem CID65479327
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name2-(4-iodophenyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H16IN/c1-17-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h2-10,15,17H,11H2,1H3
InChIKeyXGKGVQFWRHGISE-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 65477287
1-(4-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526847
4-[2-(4-iodophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152002
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
N-methyl-1-phenyl-2-(4-pyridin-2-ylphenyl)ethanamine
CID 82540649
1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864205
1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864311
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
1-(4-bromo-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526846

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(4-iodophenyl)-N-methyl-1-phenylethanamine (CID 65479327) is 2-(4-iodophenyl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(4-iodophenyl)-N-methyl-1-phenylethanamine is CNC(Cc1ccc(I)cc1)c1ccccc1.
What is the InChIKey of 2-(4-iodophenyl)-N-methyl-1-phenylethanamine?
The InChIKey is XGKGVQFWRHGISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-17-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h2-10,15,17H,11H2,1H3.
What are the key properties of 2-(4-iodophenyl)-N-methyl-1-phenylethanamine?
2-(4-iodophenyl)-N-methyl-1-phenylethanamine has a molecular weight of 337.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 65479327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).