2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine

C11H16IN — CID 166117253

IUPAC2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
SMILESCc1ccc(CCN(C)I)c(C)c1
InChIInChI=1S/C11H16IN/c1-9-4-5-11(10(2)8-9)6-7-13(3)12/h4-5,8H,6-7H2,1-3H3
InChIKeyZZGYWLCBMMULSX-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.13
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine

2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine (PubChem CID 166117253) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
PubChem CID166117253
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
SMILESCc1ccc(CCN(C)I)c(C)c1
InChIInChI=1S/C11H16IN/c1-9-4-5-11(10(2)8-9)6-7-13(3)12/h4-5,8H,6-7H2,1-3H3
InChIKeyZZGYWLCBMMULSX-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
3-N-[2-(2,4-dimethylphenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041004
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537
4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline
CID 58536659
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine (CID 166117253) is 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine is Cc1ccc(CCN(C)I)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine?
The InChIKey is ZZGYWLCBMMULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-9-4-5-11(10(2)8-9)6-7-13(3)12/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine?
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine has a molecular weight of 289.16 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine is sourced from PubChem (CID 166117253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).