3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine

C12H18INO — CID 79626895

IUPAC3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COc1cccc(I)c1
InChIInChI=1S/C12H18INO/c1-12(2,8-14-3)9-15-11-6-4-5-10(13)7-11/h4-7,14H,8-9H2,1-3H3
InChIKeyHYUKSVGQZWPVSY-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.92
Rot. Bonds5

About 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine

3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine (PubChem CID 79626895) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine
PubChem CID79626895
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Name3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COc1cccc(I)c1
InChIInChI=1S/C12H18INO/c1-12(2,8-14-3)9-15-11-6-4-5-10(13)7-11/h4-7,14H,8-9H2,1-3H3
InChIKeyHYUKSVGQZWPVSY-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine
CID 79626894
3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79628620
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
CID 79621302
N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626869
N,2,2-trimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 79628455
N,2,2-trimethyl-3-quinolin-3-yloxypropan-1-amine
CID 107387869
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
3-(3-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79628807
N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793470
1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol
CID 69220255
2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79626708
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine (CID 79626895) is 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)COc1cccc(I)c1.
What is the InChIKey of 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine?
The InChIKey is HYUKSVGQZWPVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-12(2,8-14-3)9-15-11-6-4-5-10(13)7-11/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine?
3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine has a molecular weight of 319.19 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79626895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).