N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine

C16H19IN2 — CID 65476888

IUPACN-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ncccc1C
InChIInChI=1S/C16H19IN2/c1-3-18-15(16-12(2)5-4-10-19-16)11-13-6-8-14(17)9-7-13/h4-10,15,18H,3,11H2,1-2H3
InChIKeyNVTBAIFGXZRJBK-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.89
Rot. Bonds5

About N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine

N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 65476888) has the molecular formula C16H19IN2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine
PubChem CID65476888
Molecular FormulaC16H19IN2
Molecular Weight366.25 g/mol
Exact Mass366.06
IUPAC NameN-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ncccc1C
InChIInChI=1S/C16H19IN2/c1-3-18-15(16-12(2)5-4-10-19-16)11-13-6-8-14(17)9-7-13/h4-10,15,18H,3,11H2,1-2H3
InChIKeyNVTBAIFGXZRJBK-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 105406043
N-ethyl-2-(furan-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 83176213
N-ethyl-1-(3-methyl-2-pyridinyl)but-3-yn-1-amine
CID 62235339
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 82877213
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
[2-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209390
[1-(3-methyl-2-pyridinyl)-2-pyridin-4-ylethyl]hydrazine
CID 105209330
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine (CID 65476888) is N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(I)cc1)c1ncccc1C.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is NVTBAIFGXZRJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2/c1-3-18-15(16-12(2)5-4-10-19-16)11-13-6-8-14(17)9-7-13/h4-10,15,18H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine?
N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 366.25 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 65476888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).