4-iodo-N-(2-propan-2-yloxyethyl)aniline

C11H16INO — CID 60679190

IUPAC4-iodo-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyOZMODOJSTWJLPS-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.13
Rot. Bonds5

About 4-iodo-N-(2-propan-2-yloxyethyl)aniline

4-iodo-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 60679190) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 4-iodo-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name4-iodo-N-(2-propan-2-yloxyethyl)aniline
PubChem CID60679190
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name4-iodo-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyOZMODOJSTWJLPS-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
4-ethylsulfonyl-N-(2-propan-2-yloxyethyl)aniline
CID 113250557
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
3-bromo-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 63334301
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
N-(2-propan-2-yloxyethyl)-1H-indol-5-amine
CID 118901042
2-methyl-4-(2-propan-2-yloxyethylamino)benzonitrile
CID 104761629
4-bromo-3,5-dimethyl-N-(2-propan-2-yloxyethyl)aniline
CID 107573538
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 4-iodo-N-(2-propan-2-yloxyethyl)aniline (CID 60679190) is 4-iodo-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 4-iodo-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 4-iodo-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCNc1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is OZMODOJSTWJLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 4-iodo-N-(2-propan-2-yloxyethyl)aniline?
4-iodo-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 305.16 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 60679190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).