4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline

C14H13FIN — CID 65479215

IUPAC4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
SMILESCc1cc(NCc2ccc(I)cc2)ccc1F
InChIInChI=1S/C14H13FIN/c1-10-8-13(6-7-14(10)15)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3
InChIKeyNEAHFWHRQJZCAX-UHFFFAOYSA-N
MW341.17 g/mol
LogP4.35
Rot. Bonds3

About 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline

4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline (PubChem CID 65479215) has the molecular formula C14H13FIN and a molecular weight of 341.17 g/mol. Its IUPAC name is 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
PubChem CID65479215
Molecular FormulaC14H13FIN
Molecular Weight341.17 g/mol
Exact Mass341.01
IUPAC Name4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
SMILESCc1cc(NCc2ccc(I)cc2)ccc1F
InChIInChI=1S/C14H13FIN/c1-10-8-13(6-7-14(10)15)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3
InChIKeyNEAHFWHRQJZCAX-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

4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-3-methylaniline
CID 62810399
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline?
The IUPAC name of 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline (CID 65479215) is 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline?
The canonical SMILES for 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline is Cc1cc(NCc2ccc(I)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline?
The InChIKey is NEAHFWHRQJZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FIN/c1-10-8-13(6-7-14(10)15)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3.
What are the key properties of 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline?
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline 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 4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline is sourced from PubChem (CID 65479215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).