4-(2-iodophenoxy)but-2-en-1-amine

C10H12INO — CID 77110480

IUPAC4-(2-iodophenoxy)but-2-en-1-amine
SMILESNCC=CCOc1ccccc1I
InChIInChI=1S/C10H12INO/c11-9-5-1-2-6-10(9)13-8-4-3-7-12/h1-6H,7-8,12H2
InChIKeyWEXSUTNHUYJOGS-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.18
Rot. Bonds4

About 4-(2-iodophenoxy)but-2-en-1-amine

4-(2-iodophenoxy)but-2-en-1-amine (PubChem CID 77110480) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 4-(2-iodophenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2-iodophenoxy)but-2-en-1-amine
PubChem CID77110480
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name4-(2-iodophenoxy)but-2-en-1-amine
SMILESNCC=CCOc1ccccc1I
InChIInChI=1S/C10H12INO/c11-9-5-1-2-6-10(9)13-8-4-3-7-12/h1-6H,7-8,12H2
InChIKeyWEXSUTNHUYJOGS-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobut-2-enoxy)-2-iodobenzene
CID 77051500
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
(E)-4-(2-iodophenoxy)but-2-enoic acid
CID 62342305
4-phenoxybut-2-en-1-amine
CID 68864521
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
4-naphthalen-2-yloxybut-2-en-1-amine
CID 77110191
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777
1-(3-chloropropoxy)-2-iodobenzene
CID 43479699
3-(2-iodophenoxy)propanal
CID 63039119
1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene
CID 102582229
4-(3-methyl-2-nitrophenoxy)but-2-en-1-amine
CID 77110817
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenoxy)but-2-en-1-amine?
The IUPAC name of 4-(2-iodophenoxy)but-2-en-1-amine (CID 77110480) is 4-(2-iodophenoxy)but-2-en-1-amine.
What is the SMILES notation for 4-(2-iodophenoxy)but-2-en-1-amine?
The canonical SMILES for 4-(2-iodophenoxy)but-2-en-1-amine is NCC=CCOc1ccccc1I.
What is the InChIKey of 4-(2-iodophenoxy)but-2-en-1-amine?
The InChIKey is WEXSUTNHUYJOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c11-9-5-1-2-6-10(9)13-8-4-3-7-12/h1-6H,7-8,12H2.
What are the key properties of 4-(2-iodophenoxy)but-2-en-1-amine?
4-(2-iodophenoxy)but-2-en-1-amine has a molecular weight of 289.12 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenoxy)but-2-en-1-amine is sourced from PubChem (CID 77110480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).