4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline

C14H13FINO — CID 79768483

IUPAC4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C14H13FINO/c1-18-12-4-2-3-10(7-12)9-17-14-6-5-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyWJWLIGAYYCJLRJ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.05
Rot. Bonds4

About 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline

4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline (PubChem CID 79768483) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
PubChem CID79768483
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Name4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C14H13FINO/c1-18-12-4-2-3-10(7-12)9-17-14-6-5-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyWJWLIGAYYCJLRJ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
2-iodo-N-[(3-methoxyphenyl)methyl]-4-nitroaniline
CID 66095737
4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 66099500
N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768476
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
5-fluoro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 62377280
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888
4-[(4-fluoro-2-iodoanilino)methyl]-2-methoxybenzonitrile
CID 106787689
4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline (CID 79768483) is 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2ccc(F)cc2I)c1.
What is the InChIKey of 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline?
The InChIKey is WJWLIGAYYCJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c1-18-12-4-2-3-10(7-12)9-17-14-6-5-11(15)8-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline?
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline has a molecular weight of 357.17 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 79768483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).