N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline

C15H15FIN — CID 79768890

IUPACN-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
SMILESCc1ccc(C)c(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C15H15FIN/c1-10-3-4-11(2)12(7-10)9-18-15-6-5-13(16)8-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyDZUVCVGBQLDXJV-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.66
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline

N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline (PubChem CID 79768890) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
PubChem CID79768890
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
SMILESCc1ccc(C)c(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C15H15FIN/c1-10-3-4-11(2)12(7-10)9-18-15-6-5-13(16)8-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyDZUVCVGBQLDXJV-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol
CID 79769709
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
2-[(2,5-dimethylphenyl)methylamino]-5-fluorobenzonitrile
CID 82016482
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
4-fluoro-2-iodo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 79769306
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54957845
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769241
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79759188
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline (CID 79768890) is N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline is Cc1ccc(C)c(CNc2ccc(F)cc2I)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline?
The InChIKey is DZUVCVGBQLDXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c1-10-3-4-11(2)12(7-10)9-18-15-6-5-13(16)8-14(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline?
N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline has a molecular weight of 355.19 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79768890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).