3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine

C11H16INO — CID 79626894

IUPAC3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1cccc(I)c1
InChIInChI=1S/C11H16INO/c1-11(2,7-13)8-14-10-5-3-4-9(12)6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyVSFWCSURJFXBHM-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine

3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 79626894) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine
PubChem CID79626894
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1cccc(I)c1
InChIInChI=1S/C11H16INO/c1-11(2,7-13)8-14-10-5-3-4-9(12)6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyVSFWCSURJFXBHM-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.65
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)-N,2,2-trimethylpropan-1-amine
CID 79626895
2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
CID 79004035
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671
1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259
2-(3-iodophenoxy)acetaldehyde
CID 54101837
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
1-(3-bromo-2,2-dimethylpropoxy)-3-tert-butylbenzene
CID 64995339
4-[(3-iodophenoxy)methyl]aniline
CID 43144814
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
1-(3-bromo-2,2-dimethylpropoxy)-3-chlorobenzene
CID 64995020

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine (CID 79626894) is 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine is CC(C)(CN)COc1cccc(I)c1.
What is the InChIKey of 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is VSFWCSURJFXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-11(2,7-13)8-14-10-5-3-4-9(12)6-10/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine?
3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 305.16 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79626894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).