N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline

C15H15FIN — CID 63440747

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
SMILESCc1cc(CNc2ccc(I)cc2C)ccc1F
InChIInChI=1S/C15H15FIN/c1-10-7-12(3-5-14(10)16)9-18-15-6-4-13(17)8-11(15)2/h3-8,18H,9H2,1-2H3
InChIKeyDUEOJFYMNDTFEU-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.66
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline

N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline (PubChem CID 63440747) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
PubChem CID63440747
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
SMILESCc1cc(CNc2ccc(I)cc2C)ccc1F
InChIInChI=1S/C15H15FIN/c1-10-7-12(3-5-14(10)16)9-18-15-6-4-13(17)8-11(15)2/h3-8,18H,9H2,1-2H3
InChIKeyDUEOJFYMNDTFEU-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

4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline
CID 43716986
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline
CID 43716958
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43716980
N-[(4-bromo-3-chlorophenyl)methyl]-4-iodo-2-methylaniline
CID 114076429
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbenzoate
CID 62121107
4-iodo-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760091
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-iodoaniline
CID 43788803
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline (CID 63440747) is N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline is Cc1cc(CNc2ccc(I)cc2C)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline?
The InChIKey is DUEOJFYMNDTFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c1-10-7-12(3-5-14(10)16)9-18-15-6-4-13(17)8-11(15)2/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline?
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline 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-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline is sourced from PubChem (CID 63440747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).