N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine

C13H20INO2 — CID 2213024

IUPACN-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine
SMILESCCNCc1cc(I)c(OCC)c(OCC)c1
InChIInChI=1S/C13H20INO2/c1-4-15-9-10-7-11(14)13(17-6-3)12(8-10)16-5-2/h7-8,15H,4-6,9H2,1-3H3
InChIKeyYLWPVGOBUASGBL-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.20
Rot. Bonds7

About N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine

N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine (PubChem CID 2213024) has the molecular formula C13H20INO2 and a molecular weight of 349.21 g/mol. Its IUPAC name is N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine
PubChem CID2213024
Molecular FormulaC13H20INO2
Molecular Weight349.21 g/mol
Exact Mass349.05
IUPAC NameN-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine
SMILESCCNCc1cc(I)c(OCC)c(OCC)c1
InChIInChI=1S/C13H20INO2/c1-4-15-9-10-7-11(14)13(17-6-3)12(8-10)16-5-2/h7-8,15H,4-6,9H2,1-3H3
InChIKeyYLWPVGOBUASGBL-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-diethoxy-5-iodophenyl)methyl]-2-phenylethanamine;hydrochloride
CID 2982533
N-[(3,4-diethoxy-5-iodophenyl)methyl]-4-methoxyaniline
CID 126119618
N'-[(3-chloro-4,5-diethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215598
(2S)-2-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylamino]butan-1-ol
CID 979758
2-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylamino]butan-1-ol
CID 11841955
1,2-diethoxy-5-fluoro-3-iodobenzene
CID 164896082
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetonitrile
CID 60889105
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methyl]-4-fluoroaniline
CID 126207922
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43626932
5-[(3-bromo-4,5-diethoxyphenyl)methylamino]pentan-1-ol
CID 17211678
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine (CID 2213024) is N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine is CCNCc1cc(I)c(OCC)c(OCC)c1.
What is the InChIKey of N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine?
The InChIKey is YLWPVGOBUASGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO2/c1-4-15-9-10-7-11(14)13(17-6-3)12(8-10)16-5-2/h7-8,15H,4-6,9H2,1-3H3.
What are the key properties of N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine?
N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine has a molecular weight of 349.21 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 2213024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).