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

C16H18IN — CID 115802841

IUPAC2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H18IN/c1-2-12-3-5-13(6-4-12)11-16(18)14-7-9-15(17)10-8-14/h3-10,16H,2,11,18H2,1H3
InChIKeyCJWSFUKJVGHKHI-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.10
Rot. Bonds4

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

2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine (PubChem CID 115802841) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
PubChem CID115802841
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H18IN/c1-2-12-3-5-13(6-4-12)11-16(18)14-7-9-15(17)10-8-14/h3-10,16H,2,11,18H2,1H3
InChIKeyCJWSFUKJVGHKHI-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 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

1,2-bis(4-iodophenyl)ethanamine
CID 115863933
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391
1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
CID 107973873
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
CID 63412435
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 159823067
1-(4-iodophenyl)pentan-2-amine
CID 65478921

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine (CID 115802841) is 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine is CCc1ccc(CC(N)c2ccc(I)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine?
The InChIKey is CJWSFUKJVGHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-2-12-3-5-13(6-4-12)11-16(18)14-7-9-15(17)10-8-14/h3-10,16H,2,11,18H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine?
2-(4-ethylphenyl)-1-(4-iodophenyl)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 2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115802841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).