N-(2-iodoethyl)aniline

C8H10IN — CID 11184197

IUPACN-(2-iodoethyl)aniline
SMILESICCNc1ccccc1
InChIInChI=1S/C8H10IN/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyMQFWRHQNJYVOEX-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.53
Rot. Bonds3

About N-(2-iodoethyl)aniline

N-(2-iodoethyl)aniline (PubChem CID 11184197) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is N-(2-iodoethyl)aniline.

Molecular Properties

Compound NameN-(2-iodoethyl)aniline
PubChem CID11184197
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC NameN-(2-iodoethyl)aniline
SMILESICCNc1ccccc1
InChIInChI=1S/C8H10IN/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyMQFWRHQNJYVOEX-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N'-iodo-N-phenylethane-1,2-diamine
CID 134342135
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-propylaniline
CID 12153
N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
CID 25130926
ethane;N'-phenylethane-1,2-diamine
CID 91048519
ethane;N-(2-phenylethyl)aniline
CID 91194556
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-(5-bromopentyl)aniline
CID 20759134
N-nonadecylaniline
CID 54509054
10-anilinodecan-1-ol
CID 10955954

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)aniline?
The IUPAC name of N-(2-iodoethyl)aniline (CID 11184197) is N-(2-iodoethyl)aniline.
What is the SMILES notation for N-(2-iodoethyl)aniline?
The canonical SMILES for N-(2-iodoethyl)aniline is ICCNc1ccccc1.
What is the InChIKey of N-(2-iodoethyl)aniline?
The InChIKey is MQFWRHQNJYVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-(2-iodoethyl)aniline?
N-(2-iodoethyl)aniline has a molecular weight of 247.08 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)aniline is sourced from PubChem (CID 11184197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).