N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline

C16H18INO2 — CID 43773219

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
SMILESCCOc1cccc(CNc2ccc(I)cc2)c1OC
InChIInChI=1S/C16H18INO2/c1-3-20-15-6-4-5-12(16(15)19-2)11-18-14-9-7-13(17)8-10-14/h4-10,18H,3,11H2,1-2H3
InChIKeyVGYQIDIPMFZEBQ-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.31
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline

N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline (PubChem CID 43773219) has the molecular formula C16H18INO2 and a molecular weight of 383.23 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
PubChem CID43773219
Molecular FormulaC16H18INO2
Molecular Weight383.23 g/mol
Exact Mass383.04
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
SMILESCCOc1cccc(CNc2ccc(I)cc2)c1OC
InChIInChI=1S/C16H18INO2/c1-3-20-15-6-4-5-12(16(15)19-2)11-18-14-9-7-13(17)8-10-14/h4-10,18H,3,11H2,1-2H3
InChIKeyVGYQIDIPMFZEBQ-UHFFFAOYSA-N
XLogP4.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.31
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-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
CID 39422650
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 54921625
3-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-fluoroaniline
CID 43772873
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline (CID 43773219) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline is CCOc1cccc(CNc2ccc(I)cc2)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline?
The InChIKey is VGYQIDIPMFZEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO2/c1-3-20-15-6-4-5-12(16(15)19-2)11-18-14-9-7-13(17)8-10-14/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline has a molecular weight of 383.23 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline is sourced from PubChem (CID 43773219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).