N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline

C11H15FINO — CID 79769660

IUPACN-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
SMILESCCOCCCNc1ccc(F)cc1I
InChIInChI=1S/C11H15FINO/c1-2-15-7-3-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyYPZHQBMZLYPXJC-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.27
Rot. Bonds6

About N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline

N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline (PubChem CID 79769660) has the molecular formula C11H15FINO and a molecular weight of 323.15 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
PubChem CID79769660
Molecular FormulaC11H15FINO
Molecular Weight323.15 g/mol
Exact Mass323.02
IUPAC NameN-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
SMILESCCOCCCNc1ccc(F)cc1I
InChIInChI=1S/C11H15FINO/c1-2-15-7-3-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyYPZHQBMZLYPXJC-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409573
2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
CID 65175214
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
N-(3-ethoxypropyl)-2-iodoaniline
CID 65175161
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523
2-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
N-[2-(3-bromophenoxy)ethyl]-4-fluoro-2-iodoaniline
CID 79769430
4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
CID 79766667
1-(3-ethoxypropyl)-3-(4-fluoro-2-methylphenyl)thiourea
CID 113218424
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
CID 62571632

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline?
The IUPAC name of N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline (CID 79769660) is N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline?
The canonical SMILES for N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline is CCOCCCNc1ccc(F)cc1I.
What is the InChIKey of N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline?
The InChIKey is YPZHQBMZLYPXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FINO/c1-2-15-7-3-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline?
N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline has a molecular weight of 323.15 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).