1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine

C16H18IN — CID 115864016

IUPAC1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C16H18IN/c1-11-3-8-15(12(2)9-11)16(18)10-13-4-6-14(17)7-5-13/h3-9,16H,10,18H2,1-2H3
InChIKeyVFRNGOMPLJAQLE-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.15
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine

1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine (PubChem CID 115864016) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
PubChem CID115864016
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C16H18IN/c1-11-3-8-15(12(2)9-11)16(18)10-13-4-6-14(17)7-5-13/h3-9,16H,10,18H2,1-2H3
InChIKeyVFRNGOMPLJAQLE-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.15
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-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 115864870
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
[1-(2,5-dimethylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310282
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
1,2-bis(4-iodophenyl)ethanamine
CID 115863933

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine (CID 115864016) is 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(I)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine?
The InChIKey is VFRNGOMPLJAQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-11-3-8-15(12(2)9-11)16(18)10-13-4-6-14(17)7-5-13/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine?
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine has a molecular weight of 351.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115864016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).