N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline

C22H21FINO2 — CID 126116456

IUPACN-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline
SMILESCOc1cc(CNc2ccc(C)cc2)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C22H21FINO2/c1-15-7-9-18(10-8-15)25-13-16-11-20(24)22(21(12-16)26-2)27-14-17-5-3-4-6-19(17)23/h3-12,25H,13-14H2,1-2H3
InChIKeySCJHCEWTUWTNGU-UHFFFAOYSA-N
MW477.32 g/mol
LogP5.94
Rot. Bonds7

About N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline

N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline (PubChem CID 126116456) has the molecular formula C22H21FINO2 and a molecular weight of 477.32 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline
PubChem CID126116456
Molecular FormulaC22H21FINO2
Molecular Weight477.32 g/mol
Exact Mass477.06
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline
SMILESCOc1cc(CNc2ccc(C)cc2)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C22H21FINO2/c1-15-7-9-18(10-8-15)25-13-16-11-20(24)22(21(12-16)26-2)27-14-17-5-3-4-6-19(17)23/h3-12,25H,13-14H2,1-2H3
InChIKeySCJHCEWTUWTNGU-UHFFFAOYSA-N
XLogP5.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.32
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]aniline
CID 126211950
3-chloro-N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline
CID 126121690
3,4-dichloro-N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]aniline
CID 126204732
4-ethoxy-N-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126116262
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-3-methylaniline
CID 126117400
3-chloro-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methyl]aniline
CID 126374039
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dimethylaniline
CID 126128067
3-chloro-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 5190923
N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126127038
2-chloro-N-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126184423
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279
4-chloro-N-[(4-ethoxy-3-iodo-5-methoxyphenyl)methyl]aniline
CID 126183519

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline (CID 126116456) is N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline is COc1cc(CNc2ccc(C)cc2)cc(I)c1OCc1ccccc1F.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline?
The InChIKey is SCJHCEWTUWTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FINO2/c1-15-7-9-18(10-8-15)25-13-16-11-20(24)22(21(12-16)26-2)27-14-17-5-3-4-6-19(17)23/h3-12,25H,13-14H2,1-2H3.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline?
N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline has a molecular weight of 477.32 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline is sourced from PubChem (CID 126116456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).