2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine

C15H16IN — CID 65477285

IUPAC2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16IN/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h2-9,15H,10,17H2,1H3
InChIKeyBVXBJXMPUJGMKN-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine

2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine (PubChem CID 65477285) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
PubChem CID65477285
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16IN/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h2-9,15H,10,17H2,1H3
InChIKeyBVXBJXMPUJGMKN-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.84
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

1,2-bis(4-iodophenyl)ethanamine
CID 115863933
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349
1-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730
1-(4-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550879
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115864084
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine (CID 65477285) is 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(I)cc2)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is BVXBJXMPUJGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine?
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 337.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 65477285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).