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

C14H13FIN — CID 63421874

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
SMILESCc1cc(F)ccc1CNc1cccc(I)c1
InChIInChI=1S/C14H13FIN/c1-10-7-12(15)6-5-11(10)9-17-14-4-2-3-13(16)8-14/h2-8,17H,9H2,1H3
InChIKeyHETAXFCLXPKNKX-UHFFFAOYSA-N
MW341.17 g/mol
LogP4.35
Rot. Bonds3

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

N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline (PubChem CID 63421874) has the molecular formula C14H13FIN and a molecular weight of 341.17 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
PubChem CID63421874
Molecular FormulaC14H13FIN
Molecular Weight341.17 g/mol
Exact Mass341.01
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
SMILESCc1cc(F)ccc1CNc1cccc(I)c1
InChIInChI=1S/C14H13FIN/c1-10-7-12(15)6-5-11(10)9-17-14-4-2-3-13(16)8-14/h2-8,17H,9H2,1H3
InChIKeyHETAXFCLXPKNKX-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 54.35
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

1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376553
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445707
4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
CID 103761094
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
2-[3-[(4-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 62136451
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline (CID 63421874) is N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline is Cc1cc(F)ccc1CNc1cccc(I)c1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline?
The InChIKey is HETAXFCLXPKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FIN/c1-10-7-12(15)6-5-11(10)9-17-14-4-2-3-13(16)8-14/h2-8,17H,9H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline?
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline has a molecular weight of 341.17 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline is sourced from PubChem (CID 63421874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).