1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine

C16H18IN — CID 61063844

IUPAC1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cccc(I)c1
InChIInChI=1S/C16H18IN/c1-12-6-3-4-7-13(12)11-16(18-2)14-8-5-9-15(17)10-14/h3-10,16,18H,11H2,1-2H3
InChIKeyDTDOSESBPMSUGO-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine

1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 61063844) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID61063844
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cccc(I)c1
InChIInChI=1S/C16H18IN/c1-12-6-3-4-7-13(12)11-16(18-2)14-8-5-9-15(17)10-14/h3-10,16,18H,11H2,1-2H3
InChIKeyDTDOSESBPMSUGO-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.10
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

N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526846
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
CID 105015718
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
CID 105028957
1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
1-(3-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859533
N-[2-(4-fluoro-2-methylphenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105051020
[2-(2-bromophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105283862
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105101002

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine (CID 61063844) is 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine is CNC(Cc1ccccc1C)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is DTDOSESBPMSUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-12-6-3-4-7-13(12)11-16(18-2)14-8-5-9-15(17)10-14/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine has a molecular weight of 351.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 61063844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).