N-(3-ethoxypropyl)-2-iodoaniline

C11H16INO — CID 65175161

IUPACN-(3-ethoxypropyl)-2-iodoaniline
SMILESCCOCCCNc1ccccc1I
InChIInChI=1S/C11H16INO/c1-2-14-9-5-8-13-11-7-4-3-6-10(11)12/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyIQAGJFHHGZORSJ-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.13
Rot. Bonds6

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

N-(3-ethoxypropyl)-2-iodoaniline (PubChem CID 65175161) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-iodoaniline.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-iodoaniline
PubChem CID65175161
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC NameN-(3-ethoxypropyl)-2-iodoaniline
SMILESCCOCCCNc1ccccc1I
InChIInChI=1S/C11H16INO/c1-2-14-9-5-8-13-11-7-4-3-6-10(11)12/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyIQAGJFHHGZORSJ-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.13
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

N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
CID 79769660
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
3-(3-ethoxypropylamino)benzene-1,2-dicarbonitrile
CID 58445511
ethyl 3-(2-iodoanilino)propanoate
CID 43174220
N-(12-ethoxydodecyl)aniline
CID 54545171
4-(2-iodoanilino)butanenitrile
CID 28876808
2-(2-iodoanilino)ethanol
CID 28978311
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-iodoaniline?
The IUPAC name of N-(3-ethoxypropyl)-2-iodoaniline (CID 65175161) is N-(3-ethoxypropyl)-2-iodoaniline.
What is the SMILES notation for N-(3-ethoxypropyl)-2-iodoaniline?
The canonical SMILES for N-(3-ethoxypropyl)-2-iodoaniline is CCOCCCNc1ccccc1I.
What is the InChIKey of N-(3-ethoxypropyl)-2-iodoaniline?
The InChIKey is IQAGJFHHGZORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-2-14-9-5-8-13-11-7-4-3-6-10(11)12/h3-4,6-7,13H,2,5,8-9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2-iodoaniline?
N-(3-ethoxypropyl)-2-iodoaniline has a molecular weight of 305.16 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-iodoaniline is sourced from PubChem (CID 65175161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).