N-iodo-N-(2-propoxyethyl)aniline

C11H16INO — CID 174306758

IUPACN-iodo-N-(2-propoxyethyl)aniline
SMILESCCCOCCN(I)c1ccccc1
InChIInChI=1S/C11H16INO/c1-2-9-14-10-8-13(12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyGPDOZEWBGKTBGG-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.27
Rot. Bonds6

About N-iodo-N-(2-propoxyethyl)aniline

N-iodo-N-(2-propoxyethyl)aniline (PubChem CID 174306758) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is N-iodo-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound NameN-iodo-N-(2-propoxyethyl)aniline
PubChem CID174306758
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC NameN-iodo-N-(2-propoxyethyl)aniline
SMILESCCCOCCN(I)c1ccccc1
InChIInChI=1S/C11H16INO/c1-2-9-14-10-8-13(12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyGPDOZEWBGKTBGG-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(N-iodoanilino)ethanol
CID 143001889
phenol;propane;1-propoxypropane
CID 162084226
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
N-methyl-N-propoxyaniline
CID 14117102
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
3-[N-(2-butoxyethyl)anilino]propanoic acid
CID 61483721
N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline
CID 176922442
N-benzyl-N-(2-ethoxyethyl)aniline
CID 57253291
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-(2-propoxyethyl)aniline?
The IUPAC name of N-iodo-N-(2-propoxyethyl)aniline (CID 174306758) is N-iodo-N-(2-propoxyethyl)aniline.
What is the SMILES notation for N-iodo-N-(2-propoxyethyl)aniline?
The canonical SMILES for N-iodo-N-(2-propoxyethyl)aniline is CCCOCCN(I)c1ccccc1.
What is the InChIKey of N-iodo-N-(2-propoxyethyl)aniline?
The InChIKey is GPDOZEWBGKTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-2-9-14-10-8-13(12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of N-iodo-N-(2-propoxyethyl)aniline?
N-iodo-N-(2-propoxyethyl)aniline has a molecular weight of 305.16 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 174306758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).