N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline

C23H24INO2 — CID 126127038

IUPACN-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccccc2)cc(I)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H24INO2/c1-3-26-22-14-19(15-25-20-7-5-4-6-8-20)13-21(24)23(22)27-16-18-11-9-17(2)10-12-18/h4-14,25H,3,15-16H2,1-2H3
InChIKeySFNKYWLWUVGCGL-UHFFFAOYSA-N
MW473.35 g/mol
LogP6.19
Rot. Bonds8

About N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline

N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126127038) has the molecular formula C23H24INO2 and a molecular weight of 473.35 g/mol. Its IUPAC name is N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
PubChem CID126127038
Molecular FormulaC23H24INO2
Molecular Weight473.35 g/mol
Exact Mass473.09
IUPAC NameN-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccccc2)cc(I)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H24INO2/c1-3-26-22-14-19(15-25-20-7-5-4-6-8-20)13-21(24)23(22)27-16-18-11-9-17(2)10-12-18/h4-14,25H,3,15-16H2,1-2H3
InChIKeySFNKYWLWUVGCGL-UHFFFAOYSA-N
XLogP6.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.35
LogP ≤ 56.19
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-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126124383
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]aniline
CID 126122095
N-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126119182
N-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methyl]-4-phenoxyaniline
CID 126128627
4-ethoxy-N-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126116262
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]aniline
CID 126125775
N-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methyl]aniline
CID 3501164
4-ethoxy-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]methyl]aniline
CID 126128745
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]methyl]-4-methylaniline
CID 126120752
N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-phenoxyaniline
CID 126122837
N-[(3,4-diethoxy-5-iodophenyl)methyl]-4-methoxyaniline
CID 126119618
2-chloro-N-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126184423

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline (CID 126127038) is N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline is CCOc1cc(CNc2ccccc2)cc(I)c1OCc1ccc(C)cc1.
What is the InChIKey of N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is SFNKYWLWUVGCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24INO2/c1-3-26-22-14-19(15-25-20-7-5-4-6-8-20)13-21(24)23(22)27-16-18-11-9-17(2)10-12-18/h4-14,25H,3,15-16H2,1-2H3.
What are the key properties of N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 473.35 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126127038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).