4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline

C12H17FINO2 — CID 103409573

IUPAC4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1ccc(F)cc1I
InChIInChI=1S/C12H17FINO2/c1-16-7-8-17-6-2-5-15-12-4-3-10(13)9-11(12)14/h3-4,9,15H,2,5-8H2,1H3
InChIKeyWDNJYDHJNICXOB-UHFFFAOYSA-N
MW353.18 g/mol
LogP2.90
Rot. Bonds8

About 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline

4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline (PubChem CID 103409573) has the molecular formula C12H17FINO2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
PubChem CID103409573
Molecular FormulaC12H17FINO2
Molecular Weight353.18 g/mol
Exact Mass353.03
IUPAC Name4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1ccc(F)cc1I
InChIInChI=1S/C12H17FINO2/c1-16-7-8-17-6-2-5-15-12-4-3-10(13)9-11(12)14/h3-4,9,15H,2,5-8H2,1H3
InChIKeyWDNJYDHJNICXOB-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
CID 79769660
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
5-fluoro-N-[3-(2-methoxyethoxy)propyl]-2-nitroaniline
CID 107302311
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfanylaniline
CID 107644761
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
CID 103409328
5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
CID 63672707

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline?
The IUPAC name of 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline (CID 103409573) is 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline is COCCOCCCNc1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline?
The InChIKey is WDNJYDHJNICXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FINO2/c1-16-7-8-17-6-2-5-15-12-4-3-10(13)9-11(12)14/h3-4,9,15H,2,5-8H2,1H3.
What are the key properties of 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline?
4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline has a molecular weight of 353.18 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline is sourced from PubChem (CID 103409573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).